1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide

C15H22N2O3S — CID 45156919

IUPAC1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(2)21(19,20)14-5-3-13(4-6-14)17-9-7-12(8-10-17)15(16)18/h3-6,11-12H,7-10H2,1-2H3,(H2,16,18)
InChIKeyHJSCWMSTMDGUPC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.57
Rot. Bonds4

About 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide

1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 45156919) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID45156919
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(2)21(19,20)14-5-3-13(4-6-14)17-9-7-12(8-10-17)15(16)18/h3-6,11-12H,7-10H2,1-2H3,(H2,16,18)
InChIKeyHJSCWMSTMDGUPC-UHFFFAOYSA-N
XLogP1.57
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide (CID 45156919) is 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide is CC(C)S(=O)(=O)c1ccc(N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is HJSCWMSTMDGUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)21(19,20)14-5-3-13(4-6-14)17-9-7-12(8-10-17)15(16)18/h3-6,11-12H,7-10H2,1-2H3,(H2,16,18).
What are the key properties of 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide?
1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45156919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).