4-Benzyloxycarbonyl-2-piperazinone - CAS 78818-15-2

Catalog:	BB036249
Product Name:	4-Benzyloxycarbonyl-2-piperazinone
CAS:	78818-15-2
Synonyms:	benzyl 3-oxopiperazine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	benzyl 3-oxopiperazine-1-carboxylate
Description:	1-Z-3-oxopiperazine (CAS# 78818-15-2) is a useful research reagent for organic synthesis and other chemical processes.
Molecular Weight:	234.25
Molecular Formula:	C12H14N2O3
Canonical SMILES:	C1CN(CC(=O)N1)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChI Key:	BAHFPJFBMJTOPU-UHFFFAOYSA-N
Boiling Point:	459.8 °C at 760 mmHg
Purity:	95+ %
Density:	1.243 g/cm³
Appearance:	White to brown powder or crystals
MDL:	MFCD00173924
LogP:	1.02170

Publication Number	Title	Priority Date
CN-110577515-A	Synthesis method of 4- (azetidin-3-yl) -1-methylpiperazine-2-one dihydrochloride	20190902
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
WO-2020115501-A1	Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19)	20181206
CN-113365696-A	Pharmaceutical compounds and their use as inhibitors of ubiquitin-specific protease 19(USP19)	20181206
EP-3890829-A1	Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19)	20181206

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[17432-37-0]
2,3,5,6-Tetramethylbenzaldehyde
[5000-66-8]
2-Bromo-2'-chloroacetophenone

Piperazines

[55513-17-2]
1-(3,4-Dichlorobenzyl)piperazine
[1191255-65-8]
Ethyl [4-(3,3,3-trifluoropropyl)piperazin-1-yl]acetate
[120-43-4]
Ethyl 1-piperazinecarboxylate
[2171065-77-1]
N1-(2-(4-(4-chloro-2-fluorophenyl)piperazin-1-yl)phenyl)-N4,N4-dimethylbenzene-1,4-disulfonamide
[27469-60-9]
1-Bis(4-fluorophenyl)methyl piperazine
[402832-69-3]
(2S,6S)-2,6-Dimethylpiperazine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.10044231
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.10044231
Rotatable Bond Count:	3
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7