1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

C19H23N3O3S — CID 31398646

IUPAC1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(21-12-8-16-5-4-11-20-15-16)17-9-13-22(14-10-17)26(24,25)18-6-2-1-3-7-18/h1-7,11,15,17H,8-10,12-14H2,(H,21,23)
InChIKeyNOHRIWGGKNJBRZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.84
Rot. Bonds6

About 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 31398646) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
PubChem CID31398646
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(21-12-8-16-5-4-11-20-15-16)17-9-13-22(14-10-17)26(24,25)18-6-2-1-3-7-18/h1-7,11,15,17H,8-10,12-14H2,(H,21,23)
InChIKeyNOHRIWGGKNJBRZ-UHFFFAOYSA-N
XLogP1.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-oxo-N-(2-pyridin-3-ylethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199888
N-(2-pyridin-3-ylethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 39560041
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-isoquinolin-5-ylsulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42476381
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.5]decane-4-carboxamide
CID 53183476
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
1-(benzenesulfonyl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 17442188
1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3245670
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 55590542

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (CID 31398646) is 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccnc1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is NOHRIWGGKNJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(21-12-8-16-5-4-11-20-15-16)17-9-13-22(14-10-17)26(24,25)18-6-2-1-3-7-18/h1-7,11,15,17H,8-10,12-14H2,(H,21,23).
What are the key properties of 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 31398646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).