1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide

C17H19N3O3S — CID 4086847

IUPAC1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H19N3O3S/c21-17(19-15-7-4-10-18-12-15)14-6-5-11-20(13-14)24(22,23)16-8-2-1-3-9-16/h1-4,7-10,12,14H,5-6,11,13H2,(H,19,21)
InChIKeyVUGIAQARAAZZAA-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.12
Rot. Bonds4

About 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 4086847) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID4086847
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C17H19N3O3S/c21-17(19-15-7-4-10-18-12-15)14-6-5-11-20(13-14)24(22,23)16-8-2-1-3-9-16/h1-4,7-10,12,14H,5-6,11,13H2,(H,19,21)
InChIKeyVUGIAQARAAZZAA-UHFFFAOYSA-N
XLogP2.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide (CID 4086847) is 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide is O=C(Nc1cccnc1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is VUGIAQARAAZZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-15-7-4-10-18-12-15)14-6-5-11-20(13-14)24(22,23)16-8-2-1-3-9-16/h1-4,7-10,12,14H,5-6,11,13H2,(H,19,21).
What are the key properties of 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 4086847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).