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

C19H23N3O3S — CID 1444961

IUPAC1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(21-14-16-6-10-20-11-7-16)18-8-12-22(13-9-18)26(24,25)15-17-4-2-1-3-5-17/h1-7,10-11,18H,8-9,12-15H2,(H,21,23)
InChIKeyXLHVURJKQARTFG-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.94
Rot. Bonds6

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

1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 1444961) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID1444961
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(21-14-16-6-10-20-11-7-16)18-8-12-22(13-9-18)26(24,25)15-17-4-2-1-3-5-17/h1-7,10-11,18H,8-9,12-15H2,(H,21,23)
InChIKeyXLHVURJKQARTFG-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 1444961) is 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XLHVURJKQARTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(21-14-16-6-10-20-11-7-16)18-8-12-22(13-9-18)26(24,25)15-17-4-2-1-3-5-17/h1-7,10-11,18H,8-9,12-15H2,(H,21,23).
What are the key properties of 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1444961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).