N-(4-Aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide - CAS 262368-25-2

Catalog:	BB075313
Product Name:	N-(4-Aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CAS:	262368-25-2
Synonyms:	N-(4-Aminophenyl)-4-methyl-1-piperazineacetamide

Technical Data

IUPAC Name:	N-(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
Description:	N-(4-Aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide is a useful reagent for synthesizing diaryl-pyrimidinamine derivatives, which have potential as anti-breast cancer agents.
Molecular Weight:	248.32
Molecular Formula:	C13H20N4O
Canonical SMILES:	CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N
InChI:	InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)10-13(18)15-12-4-2-11(14)3-5-12/h2-5H,6-10,14H2,1H3,(H,15,18)
InChI Key:	XWNSOTJCQVAZAM-UHFFFAOYSA-N
References:	Liu, L., et al. Bioorganic Med. Chem. Lett., 28, 1138 (2018).

Complexity:	268
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.16371127
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.16371127
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3