1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

C16H24N2O3S — CID 649629

IUPAC1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)13-4-6-15(7-5-13)17-16(19)14-8-10-18(11-9-14)22(3,20)21/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyCIVQBWIWYNTBSZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.42
Rot. Bonds4

About 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 649629) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID649629
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-12(2)13-4-6-15(7-5-13)17-16(19)14-8-10-18(11-9-14)22(3,20)21/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyCIVQBWIWYNTBSZ-UHFFFAOYSA-N
XLogP2.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide (CID 649629) is 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is CC(C)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is CIVQBWIWYNTBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(2)13-4-6-15(7-5-13)17-16(19)14-8-10-18(11-9-14)22(3,20)21/h4-7,12,14H,8-11H2,1-3H3,(H,17,19).
What are the key properties of 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 649629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).