1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide

C19H35N3O3S — CID 3242481

IUPAC1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H35N3O3S/c1-16-8-4-5-9-18(16)20-19(23)17-10-14-22(15-11-17)26(24,25)21-12-6-2-3-7-13-21/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyBQNRGKURXRLXES-UHFFFAOYSA-N
MW385.57 g/mol
LogP2.51
Rot. Bonds4

About 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide

1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 3242481) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID3242481
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC Name1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H35N3O3S/c1-16-8-4-5-9-18(16)20-19(23)17-10-14-22(15-11-17)26(24,25)21-12-6-2-3-7-13-21/h16-18H,2-15H2,1H3,(H,20,23)
InChIKeyBQNRGKURXRLXES-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide (CID 3242481) is 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide is CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is BQNRGKURXRLXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-16-8-4-5-9-18(16)20-19(23)17-10-14-22(15-11-17)26(24,25)21-12-6-2-3-7-13-21/h16-18H,2-15H2,1H3,(H,20,23).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
1-(azepan-1-ylsulfonyl)-N-(2-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 2.51, 4 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-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 3242481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).