1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide

C20H30ClN3O3S — CID 15995005

IUPAC1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C20H30ClN3O3S/c21-19-9-7-17(8-10-19)11-12-22-20(25)18-6-5-15-24(16-18)28(26,27)23-13-3-1-2-4-14-23/h7-10,18H,1-6,11-16H2,(H,22,25)
InChIKeyIEPRLWGRDSYUHQ-UHFFFAOYSA-N
MW428.00 g/mol
LogP2.83
Rot. Bonds6

About 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide

1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 15995005) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID15995005
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC Name1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)N2CCCCCC2)C1
InChIInChI=1S/C20H30ClN3O3S/c21-19-9-7-17(8-10-19)11-12-22-20(25)18-6-5-15-24(16-18)28(26,27)23-13-3-1-2-4-14-23/h7-10,18H,1-6,11-16H2,(H,22,25)
InChIKeyIEPRLWGRDSYUHQ-UHFFFAOYSA-N
XLogP2.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242081
N-[2-(4-chlorophenyl)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242949
N-[2-(4-chlorophenyl)ethyl]-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3245010
N-[2-(4-chlorophenyl)ethyl]-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-3-carboxamide
CID 20968302
Ethyl 4-[(3-{[2-(4-chlorophenyl)ethyl]carbamoyl}piperidin-1-YL)sulfonyl]piperazine-1-carboxylate
CID 24789949
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-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(2-oxo-1-pyrrolidinyl)ethyl]-3-piperidinecarboxamide
CID 24817853
N-[4-(4-chlorophenyl)butyl]-4-piperidin-1-ylbutanamide;hydrochloride
CID 73348065

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide (CID 15995005) is 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)N2CCCCCC2)C1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is IEPRLWGRDSYUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3S/c21-19-9-7-17(8-10-19)11-12-22-20(25)18-6-5-15-24(16-18)28(26,27)23-13-3-1-2-4-14-23/h7-10,18H,1-6,11-16H2,(H,22,25).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide?
1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 428.00 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)-N-[2-(4-chlorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 15995005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).