1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C13H19N3O3S — CID 646221

IUPAC1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16-8-4-12(5-9-16)13(17)15-10-11-2-6-14-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyZRUUGLFVRSXFIQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.37
Rot. Bonds4

About 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 646221) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID646221
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)16-8-4-12(5-9-16)13(17)15-10-11-2-6-14-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,15,17)
InChIKeyZRUUGLFVRSXFIQ-UHFFFAOYSA-N
XLogP0.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 646221) is 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZRUUGLFVRSXFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)16-8-4-12(5-9-16)13(17)15-10-11-2-6-14-7-3-11/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,15,17).
What are the key properties of 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 646221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).