1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C18H21N3O3S — CID 2976301

IUPAC1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H21N3O3S/c22-18(20-13-16-8-4-5-11-19-16)15-7-6-12-21(14-15)25(23,24)17-9-2-1-3-10-17/h1-5,8-11,15H,6-7,12-14H2,(H,20,22)
InChIKeyJBCAXBWQIGHQOA-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.80
Rot. Bonds5

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

1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2976301) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2976301
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C18H21N3O3S/c22-18(20-13-16-8-4-5-11-19-16)15-7-6-12-21(14-15)25(23,24)17-9-2-1-3-10-17/h1-5,8-11,15H,6-7,12-14H2,(H,20,22)
InChIKeyJBCAXBWQIGHQOA-UHFFFAOYSA-N
XLogP1.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.80
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-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 2976301) is 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JBCAXBWQIGHQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-18(20-13-16-8-4-5-11-19-16)15-7-6-12-21(14-15)25(23,24)17-9-2-1-3-10-17/h1-5,8-11,15H,6-7,12-14H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2976301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).