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

C19H23N3O3S — CID 109060909

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)C1
InChIInChI=1S/C19H23N3O3S/c1-15-4-3-11-22(14-15)26(24,25)18-8-6-17(7-9-18)19(23)21-13-16-5-2-10-20-12-16/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,21,23)
InChIKeyBZAFJPNNKLZZCN-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.43
Rot. Bonds5

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

4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 109060909) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID109060909
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)C1
InChIInChI=1S/C19H23N3O3S/c1-15-4-3-11-22(14-15)26(24,25)18-8-6-17(7-9-18)19(23)21-13-16-5-2-10-20-12-16/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,21,23)
InChIKeyBZAFJPNNKLZZCN-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

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Related Compounds

methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
CID 109061005
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
4-(acetamidomethyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 46820186
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41024865
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
1-(4-fluorophenyl)sulfonyl-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 73401850
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 7420377
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 43966024

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 109060909) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide is CC1CCCN(S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BZAFJPNNKLZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-4-3-11-22(14-15)26(24,25)18-8-6-17(7-9-18)19(23)21-13-16-5-2-10-20-12-16/h2,5-10,12,15H,3-4,11,13-14H2,1H3,(H,21,23).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide?
4-(3-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-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 109060909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).