4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide

C19H23N3O3S — CID 2441890

IUPAC4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-8-11-22(12-9-15)26(24,25)18-6-4-17(5-7-18)19(23)21-14-16-3-2-10-20-13-16/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,21,23)
InChIKeyLCZSFSCIWRKYGB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.43
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide

4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2441890) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2441890
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-8-11-22(12-9-15)26(24,25)18-6-4-17(5-7-18)19(23)21-14-16-3-2-10-20-13-16/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,21,23)
InChIKeyLCZSFSCIWRKYGB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 2441890) is 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LCZSFSCIWRKYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-8-11-22(12-9-15)26(24,25)18-6-4-17(5-7-18)19(23)21-14-16-3-2-10-20-13-16/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H,21,23).
What are the key properties of 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2441890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).