1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one

C16H19ClN2O3 — CID 72873021

IUPAC1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCOc2ccc(Cl)cc2C1
InChIInChI=1S/C16H19ClN2O3/c17-13-4-5-14-12(9-13)10-19(7-8-22-14)16(21)11-18-6-2-1-3-15(18)20/h4-5,9H,1-3,6-8,10-11H2
InChIKeyMIXSHRXYXQNEMA-UHFFFAOYSA-N
MW322.79 g/mol
LogP2.07
Rot. Bonds2

About 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one

1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 72873021) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one
PubChem CID72873021
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C1CCCCN1CC(=O)N1CCOc2ccc(Cl)cc2C1
InChIInChI=1S/C16H19ClN2O3/c17-13-4-5-14-12(9-13)10-19(7-8-22-14)16(21)11-18-6-2-1-3-15(18)20/h4-5,9H,1-3,6-8,10-11H2
InChIKeyMIXSHRXYXQNEMA-UHFFFAOYSA-N
XLogP2.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
3-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-methylpiperazin-2-one
CID 45240536
6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 90652139
1-[2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55886637
7-chloro-N-(4-hydroxybutyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 122566912
1-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97270431
6-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3H-1,4-benzoxazin-2-one
CID 39069027
1-[2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55740316
1-[2-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 166618545
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 121215418
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one (CID 72873021) is 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one is O=C1CCCCN1CC(=O)N1CCOc2ccc(Cl)cc2C1.
What is the InChIKey of 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is MIXSHRXYXQNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-13-4-5-14-12(9-13)10-19(7-8-22-14)16(21)11-18-6-2-1-3-15(18)20/h4-5,9H,1-3,6-8,10-11H2.
What are the key properties of 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 322.79 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 72873021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).