(Z)-tert-Butyl 3-(2-Ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate - CAS 1422462-67-6

Catalog:	BB075648
Product Name:	(Z)-tert-Butyl 3-(2-Ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate
CAS:	1422462-67-6
Synonyms:	1,1-Dimethylethyl (3Z)-3-(2-Ethoxy-2-oxoethylidene)-4-oxo-1-piperidinecarboxylate

Technical Data

IUPAC Name:	tert-butyl (3Z)-3-(2-ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate
Description:	(Z)-tert-Butyl 3-(2-Ethoxy-2-oxoethylidene)-4-oxopiperidine-1-carboxylate can be used as a myocardial imaging agent.
Molecular Weight:	283.32
Molecular Formula:	C14H21NO5
Canonical SMILES:	CCOC(=O)C=C1CN(CCC1=O)C(=O)OC(C)(C)C
InChI:	InChI=1S/C14H21NO5/c1-5-19-12(17)8-10-9-15(7-6-11(10)16)13(18)20-14(2,3)4/h8H,5-7,9H2,1-4H3/b10-8-
InChI Key:	OBTPHGMAUQDRTM-NTMALXAHSA-N
References:	Wu, X. et.al. Faming Zhuanli Shenqing CN 111333638 A, 11, (2020).

Complexity:	433
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	283.14197277
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.14197277
Rotatable Bond Count:	5
Topological Polar Surface Area:	72.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9