1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide

C25H33N3O3S — CID 24982277

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)cc1C
InChIInChI=1S/C25H33N3O3S/c1-19-10-11-22(18-20(19)2)32(30,31)28-16-12-21(13-17-28)25(29)26-23-8-4-5-9-24(23)27-14-6-3-7-15-27/h4-5,8-11,18,21H,3,6-7,12-17H2,1-2H3,(H,26,29)
InChIKeyHSBWIFVBEUYRNZ-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.33
Rot. Bonds5

About 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 24982277) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID24982277
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)cc1C
InChIInChI=1S/C25H33N3O3S/c1-19-10-11-22(18-20(19)2)32(30,31)28-16-12-21(13-17-28)25(29)26-23-8-4-5-9-24(23)27-14-6-3-7-15-27/h4-5,8-11,18,21H,3,6-7,12-17H2,1-2H3,(H,26,29)
InChIKeyHSBWIFVBEUYRNZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide (CID 24982277) is 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is HSBWIFVBEUYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-19-10-11-22(18-20(19)2)32(30,31)28-16-12-21(13-17-28)25(29)26-23-8-4-5-9-24(23)27-14-6-3-7-15-27/h4-5,8-11,18,21H,3,6-7,12-17H2,1-2H3,(H,26,29).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(2-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-(3,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24982277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).