1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide

C20H37N3O3S — CID 156601462

IUPAC1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCN(S(=O)(=O)N3CCCCCC3)C2)C1C
InChIInChI=1S/C20H37N3O3S/c1-16-9-7-11-19(17(16)2)21-20(24)18-10-8-14-23(15-18)27(25,26)22-12-5-3-4-6-13-22/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyMKZCHEQCNJVZEK-UHFFFAOYSA-N
MW399.60 g/mol
LogP2.76
Rot. Bonds4

About 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide

1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide (PubChem CID 156601462) has the molecular formula C20H37N3O3S and a molecular weight of 399.60 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide
PubChem CID156601462
Molecular FormulaC20H37N3O3S
Molecular Weight399.60 g/mol
Exact Mass399.26
IUPAC Name1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CCCN(S(=O)(=O)N3CCCCCC3)C2)C1C
InChIInChI=1S/C20H37N3O3S/c1-16-9-7-11-19(17(16)2)21-20(24)18-10-8-14-23(15-18)27(25,26)22-12-5-3-4-6-13-22/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyMKZCHEQCNJVZEK-UHFFFAOYSA-N
XLogP2.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 126458859
N-(2,3-dimethylcyclohexyl)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20868978
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 124817203
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
N-(2,3-dimethylcyclohexyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 43007922
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 124822252
N-(2,3-dimethylcyclohexyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024943
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide (CID 156601462) is 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide is CC1CCCC(NC(=O)C2CCCN(S(=O)(=O)N3CCCCCC3)C2)C1C.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide?
The InChIKey is MKZCHEQCNJVZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3S/c1-16-9-7-11-19(17(16)2)21-20(24)18-10-8-14-23(15-18)27(25,26)22-12-5-3-4-6-13-22/h16-19H,3-15H2,1-2H3,(H,21,24).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide?
1-(azepan-1-ylsulfonyl)-N-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide has a molecular weight of 399.60 g/mol, XLogP of 2.76, 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-(2,3-dimethylcyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 156601462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).