1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide

C25H33N3O3S — CID 26654855

IUPAC1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C25H33N3O3S/c1-19-6-11-24(20(2)18-19)32(30,31)28-16-12-21(13-17-28)25(29)26-22-7-9-23(10-8-22)27-14-4-3-5-15-27/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,26,29)
InChIKeyOGRSXYYJHFBVEB-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide

1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 26654855) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID26654855
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c(C)c1
InChIInChI=1S/C25H33N3O3S/c1-19-6-11-24(20(2)18-19)32(30,31)28-16-12-21(13-17-28)25(29)26-22-7-9-23(10-8-22)27-14-4-3-5-15-27/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,26,29)
InChIKeyOGRSXYYJHFBVEB-UHFFFAOYSA-N
XLogP4.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-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

CID 26536772
CID 26536772
CID 2112121
CID 2112121
CID 3241036
CID 3241036
CID 16034807
CID 16034807
CID 10072874
CID 10072874
CID 10254142
CID 10254142
CID 10367560
CID 10367560
CID 10412550
CID 10412550
CID 26087384
CID 26087384
CID 26412245
CID 26412245
CID 26641666
CID 26641666
CID 35014275
CID 35014275

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide (CID 26654855) is 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is OGRSXYYJHFBVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-19-6-11-24(20(2)18-19)32(30,31)28-16-12-21(13-17-28)25(29)26-22-7-9-23(10-8-22)27-14-4-3-5-15-27/h6-11,18,21H,3-5,12-17H2,1-2H3,(H,26,29).
What are the key properties of 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide?
1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 455.62 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonyl-N-(4-piperidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 26654855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).