4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

C19H23N3O3S — CID 6462872

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-16(19(23)21-14-17-7-3-4-10-20-17)13-18(15)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23)
InChIKeyGPCFZIGJYDSRDV-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.49
Rot. Bonds5

About 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide

4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 6462872) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID6462872
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-16(19(23)21-14-17-7-3-4-10-20-17)13-18(15)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23)
InChIKeyGPCFZIGJYDSRDV-UHFFFAOYSA-N
XLogP2.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide (CID 6462872) is 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2ccccn2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is GPCFZIGJYDSRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-8-9-16(19(23)21-14-17-7-3-4-10-20-17)13-18(15)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,21,23).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide?
4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 6462872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).