1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide

C25H31N3O4S — CID 46662394

IUPAC1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C25H31N3O4S/c1-19-8-5-6-17-28(19)33(31,32)23-14-12-20(13-15-23)25(30)27-16-7-9-21(18-27)24(29)26-22-10-3-2-4-11-22/h2-4,10-15,19,21H,5-9,16-18H2,1H3,(H,26,29)
InChIKeyIQUJPTGLGFPLBB-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.74
Rot. Bonds5

About 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide

1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 46662394) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
PubChem CID46662394
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C25H31N3O4S/c1-19-8-5-6-17-28(19)33(31,32)23-14-12-20(13-15-23)25(30)27-16-7-9-21(18-27)24(29)26-22-10-3-2-4-11-22/h2-4,10-15,19,21H,5-9,16-18H2,1H3,(H,26,29)
InChIKeyIQUJPTGLGFPLBB-UHFFFAOYSA-N
XLogP3.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
(3S)-1-[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]-N-phenylpiperidine-3-carboxamide
CID 27745975
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 47088517
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
N-benzyl-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 46613222
(3S)-1-[4-(methylsulfanylmethyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 25401110
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 25162245
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
1-[3-(cyclopentylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 46578445
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
(4-aminopiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119376603

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide (CID 46662394) is 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is IQUJPTGLGFPLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19-8-5-6-17-28(19)33(31,32)23-14-12-20(13-15-23)25(30)27-16-7-9-21(18-27)24(29)26-22-10-3-2-4-11-22/h2-4,10-15,19,21H,5-9,16-18H2,1H3,(H,26,29).
What are the key properties of 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide?
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46662394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).