1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C20H31N3O3S — CID 3243193

IUPAC1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O3S/c1-17(18-9-5-4-6-10-18)21-20(24)19-11-15-23(16-12-19)27(25,26)22-13-7-2-3-8-14-22/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H,21,24)
InChIKeyLELLYPYQJLNWHJ-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.70
Rot. Bonds5

About 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 3243193) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID3243193
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O3S/c1-17(18-9-5-4-6-10-18)21-20(24)19-11-15-23(16-12-19)27(25,26)22-13-7-2-3-8-14-22/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H,21,24)
InChIKeyLELLYPYQJLNWHJ-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 3243193) is 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1)c1ccccc1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is LELLYPYQJLNWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-17(18-9-5-4-6-10-18)21-20(24)19-11-15-23(16-12-19)27(25,26)22-13-7-2-3-8-14-22/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H,21,24).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.70, 5 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-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3243193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).