1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide

C24H25N3O3S — CID 112803511

IUPAC1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c28-24(26-21-11-9-19(10-12-21)18-20-13-15-25-16-14-20)23-8-4-5-17-27(23)31(29,30)22-6-2-1-3-7-22/h1-3,6-7,9-16,23H,4-5,8,17-18H2,(H,26,28)
InChIKeyQCQTWRSUFYXMEX-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.85
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide (PubChem CID 112803511) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
PubChem CID112803511
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H25N3O3S/c28-24(26-21-11-9-19(10-12-21)18-20-13-15-25-16-14-20)23-8-4-5-17-27(23)31(29,30)22-6-2-1-3-7-22/h1-3,6-7,9-16,23H,4-5,8,17-18H2,(H,26,28)
InChIKeyQCQTWRSUFYXMEX-UHFFFAOYSA-N
XLogP3.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,4-dichlorophenyl)sulfonyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 1263901
1-(benzenesulfonyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 55468628
1-(benzenesulfonyl)-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 2928504
1-(benzenesulfonyl)-N-(4-cyanophenyl)piperidine-2-carboxamide
CID 18077712
methyl 4-[[(2R)-1-(benzenesulfonyl)piperidine-2-carbonyl]amino]benzoate
CID 8765077
1-(benzenesulfonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 55505334
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
(2S)-1-(benzenesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648500
(2R)-1-(benzenesulfonyl)-N-[4-(difluoromethoxy)phenyl]piperidine-2-carboxamide
CID 2648529
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperidine-2-carboxamide
CID 4312654
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide (CID 112803511) is 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is QCQTWRSUFYXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-24(26-21-11-9-19(10-12-21)18-20-13-15-25-16-14-20)23-8-4-5-17-27(23)31(29,30)22-6-2-1-3-7-22/h1-3,6-7,9-16,23H,4-5,8,17-18H2,(H,26,28).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(pyridin-4-ylmethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 112803511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).