(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C19H23N3O3S — CID 1445009

IUPAC(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O3S/c23-19(21-13-16-8-10-20-11-9-16)18-7-4-12-22(14-18)26(24,25)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,21,23)/t18-/m1/s1
InChIKeyJQDFPKKCJFEWOP-GOSISDBHSA-N
MW373.48 g/mol
LogP1.94
Rot. Bonds6

About (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 1445009) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID1445009
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H23N3O3S/c23-19(21-13-16-8-10-20-11-9-16)18-7-4-12-22(14-18)26(24,25)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,21,23)/t18-/m1/s1
InChIKeyJQDFPKKCJFEWOP-GOSISDBHSA-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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Related Compounds

(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642299
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
(3R)-1-benzylsulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 1445005
4-[(1-benzylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 119171136
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
N-(3-aminobutyl)-1-benzylsulfonylpiperidine-3-carboxamide;hydrochloride
CID 119496646
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
1-benzylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120948133
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 1445009) is (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is JQDFPKKCJFEWOP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(21-13-16-8-10-20-11-9-16)18-7-4-12-22(14-18)26(24,25)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-15H2,(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-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 (3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 1445009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).