1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H25N3O3S — CID 24687152

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-14-6-9-21-19(12-14)22-20(24)17-7-10-23(11-8-17)27(25,26)18-5-4-15(2)16(3)13-18/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,21,22,24)
InChIKeyWFCPYTZWZXADJA-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.05
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 24687152) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID24687152
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-14-6-9-21-19(12-14)22-20(24)17-7-10-23(11-8-17)27(25,26)18-5-4-15(2)16(3)13-18/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,21,22,24)
InChIKeyWFCPYTZWZXADJA-UHFFFAOYSA-N
XLogP3.05
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.05
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-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 24687152) is 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is WFCPYTZWZXADJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-14-6-9-21-19(12-14)22-20(24)17-7-10-23(11-8-17)27(25,26)18-5-4-15(2)16(3)13-18/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3,(H,21,22,24).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.05, 4 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-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24687152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).