1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide

C19H29N3O3S — CID 3242107

IUPAC1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-16-17-8-4-3-5-9-17)18-10-14-22(15-11-18)26(24,25)21-12-6-1-2-7-13-21/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,20,23)
InChIKeyNJFKWFQJUGZWPQ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.14
Rot. Bonds5

About 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide

1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide (PubChem CID 3242107) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
PubChem CID3242107
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C19H29N3O3S/c23-19(20-16-17-8-4-3-5-9-17)18-10-14-22(15-11-18)26(24,25)21-12-6-1-2-7-13-21/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,20,23)
InChIKeyNJFKWFQJUGZWPQ-UHFFFAOYSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
4-(azepan-1-yl)-4-oxo-N-(1-phenylethyl)butanamide
CID 23724300
2-(S)-Amino-4-benzylamino-1-piperidin-1-yl-butan-1-one
CID 9817010
N,1-dibenzylpiperidine-4-carboxamide
CID 25249190
N,N'-dibenzylbutanediamide
CID 3130297
Pentanamide, N-(1-(phenylmethyl)-4-piperidinyl)-2-propyl-
CID 778887
N, N-Bis(phenylmethyl)hexanediamide
CID 4079537
(2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]cyclohexanecarboxamide
CID 14783887
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-cyclohexylamide
CID 645918
1-[2-[(4-Methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 2106397
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-(phenethyl-amide)
CID 3222788

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide (CID 3242107) is 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
The InChIKey is NJFKWFQJUGZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c23-19(20-16-17-8-4-3-5-9-17)18-10-14-22(15-11-18)26(24,25)21-12-6-1-2-7-13-21/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,20,23).
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide?
1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 2.14, 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-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 3242107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).