1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C19H23N3O3S — CID 113004473

IUPAC1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-15-5-4-7-18(13-15)26(24,25)22-11-8-16(9-12-22)19(23)21-14-17-6-2-3-10-20-17/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
InChIKeyPBBVHKGMISVVSG-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.11
Rot. Bonds5

About 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 113004473) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID113004473
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1
InChIInChI=1S/C19H23N3O3S/c1-15-5-4-7-18(13-15)26(24,25)22-11-8-16(9-12-22)19(23)21-14-17-6-2-3-10-20-17/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
InChIKeyPBBVHKGMISVVSG-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27554188
1-naphthalen-2-ylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 2985293
1-(3,4-difluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35747322
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-(4-methylsulfanylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 6472270
N-[(2-methylphenyl)methyl]-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003987
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
N-(furan-2-ylmethyl)-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003913
1-(benzenesulfonyl)-N-[(2R)-4-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]piperidine-4-carboxamide
CID 124651196

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 113004473) is 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is Cc1cccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is PBBVHKGMISVVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-5-4-7-18(13-15)26(24,25)22-11-8-16(9-12-22)19(23)21-14-17-6-2-3-10-20-17/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23).
What are the key properties of 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).