1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide

C25H28N4O3S — CID 55886381

IUPAC1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H28N4O3S/c30-25(20-7-6-16-29(17-20)33(31,32)22-8-2-1-3-9-22)26-21-13-11-19(12-14-21)23-18-28-15-5-4-10-24(28)27-23/h1-3,8-9,11-14,18,20H,4-7,10,15-17H2,(H,26,30)
InChIKeyNUBGXZSQFJSXPI-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.93
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 55886381) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID55886381
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C25H28N4O3S/c30-25(20-7-6-16-29(17-20)33(31,32)22-8-2-1-3-9-22)26-21-13-11-19(12-14-21)23-18-28-15-5-4-10-24(28)27-23/h1-3,8-9,11-14,18,20H,4-7,10,15-17H2,(H,26,30)
InChIKeyNUBGXZSQFJSXPI-UHFFFAOYSA-N
XLogP3.93
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 3153019
(3S)-1-(benzenesulfonyl)-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 7283911
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 2991035
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
4-(phenylsulfamoyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885317
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3R)-1-(benzenesulfonyl)-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550014
1-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-3-carboxamide
CID 16828872
1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-3-carboxamide
CID 167874862
1-(benzenesulfonyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]piperidine-4-carboxamide
CID 4822170

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide (CID 55886381) is 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)C1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is NUBGXZSQFJSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c30-25(20-7-6-16-29(17-20)33(31,32)22-8-2-1-3-9-22)26-21-13-11-19(12-14-21)23-18-28-15-5-4-10-24(28)27-23/h1-3,8-9,11-14,18,20H,4-7,10,15-17H2,(H,26,30).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55886381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).