1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C25H31N3O4S — CID 4879488

IUPAC1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C25H31N3O4S/c1-19-8-3-4-11-23(19)25(30)27-16-12-20(13-17-27)24(29)26-21-9-7-10-22(18-21)33(31,32)28-14-5-2-6-15-28/h3-4,7-11,18,20H,2,5-6,12-17H2,1H3,(H,26,29)
InChIKeyOTNSKPNOLTXGGW-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.66
Rot. Bonds5

About 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 4879488) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID4879488
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C25H31N3O4S/c1-19-8-3-4-11-23(19)25(30)27-16-12-20(13-17-27)24(29)26-21-9-7-10-22(18-21)33(31,32)28-14-5-2-6-15-28/h3-4,7-11,18,20H,2,5-6,12-17H2,1H3,(H,26,29)
InChIKeyOTNSKPNOLTXGGW-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 2279440
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 2417657
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3610813
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2531485
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
CID 3929877

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 4879488) is 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is OTNSKPNOLTXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-19-8-3-4-11-23(19)25(30)27-16-12-20(13-17-27)24(29)26-21-9-7-10-22(18-21)33(31,32)28-14-5-2-6-15-28/h3-4,7-11,18,20H,2,5-6,12-17H2,1H3,(H,26,29).
What are the key properties of 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 4879488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).