5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one

C20H27ClN2O2 — CID 24790147

IUPAC5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCC2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O2/c21-18-8-5-16(6-9-18)11-14-23-15-17(7-10-19(23)24)20(25)22-12-3-1-2-4-13-22/h5-6,8-9,17H,1-4,7,10-15H2
InChIKeyZCYJWOPSDHOURL-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.52
Rot. Bonds4

About 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one

5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one (PubChem CID 24790147) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one
PubChem CID24790147
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCC2)CN1CCc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O2/c21-18-8-5-16(6-9-18)11-14-23-15-17(7-10-19(23)24)20(25)22-12-3-1-2-4-13-22/h5-6,8-9,17H,1-4,7,10-15H2
InChIKeyZCYJWOPSDHOURL-UHFFFAOYSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-Chloro-phenyl)-1-methyl-piperidin-2-one
CID 12012177
2-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N,N-dimethyl-acetamide
CID 11471946
1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 15995005
3-(4-chlorophenyl)-N,N-diethyl-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide
CID 22896754
1-[2-(4-Chlorophenyl)ethyl]-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24790210
N-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24790429
1-[2-(4-chlorophenyl)ethyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]-6-oxopiperidine-3-carboxamide
CID 24791565
N-(4-chlorobenzyl)-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24792074
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
CID 24794182
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxo-1-pyrrolidinyl)ethyl]-3-piperidinecarboxamide
CID 24817853

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one (CID 24790147) is 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one is O=C1CCC(C(=O)N2CCCCCC2)CN1CCc1ccc(Cl)cc1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one?
The InChIKey is ZCYJWOPSDHOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c21-18-8-5-16(6-9-18)11-14-23-15-17(7-10-19(23)24)20(25)22-12-3-1-2-4-13-22/h5-6,8-9,17H,1-4,7,10-15H2.
What are the key properties of 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one?
5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one has a molecular weight of 362.90 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1-[2-(4-chlorophenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 24790147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).