N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

C18H19N3O4S — CID 166232544

IUPACN-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C18H19N3O4S/c22-17(20-26(24,25)16-6-2-1-3-7-16)15-5-4-12-21(13-15)18(23)14-8-10-19-11-9-14/h1-3,6-11,15H,4-5,12-13H2,(H,20,22)
InChIKeyUDFVMZSAUZBCNN-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.44
Rot. Bonds4

About N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 166232544) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID166232544
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C18H19N3O4S/c22-17(20-26(24,25)16-6-2-1-3-7-16)15-5-4-12-21(13-15)18(23)14-8-10-19-11-9-14/h1-3,6-11,15H,4-5,12-13H2,(H,20,22)
InChIKeyUDFVMZSAUZBCNN-UHFFFAOYSA-N
XLogP1.44
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
(3R)-1-(cyclopropanecarbonyl)-N-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95311721
(3S)-N-(benzenesulfonyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94185832
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
N-pyridin-4-ylsulfonylcyclohexanecarboxamide
CID 71911683
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
1-[4-(methylsulfamoyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55812809
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136527944
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 166232544) is N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is UDFVMZSAUZBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-17(20-26(24,25)16-6-2-1-3-7-16)15-5-4-12-21(13-15)18(23)14-8-10-19-11-9-14/h1-3,6-11,15H,4-5,12-13H2,(H,20,22).
What are the key properties of N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 166232544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).