1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide

C16H22N2O4S — CID 75460645

IUPAC1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(12-4-6-14(7-5-12)23(3,21)22)17-16(20)13-8-9-18(2)15(19)10-13/h4-7,11,13H,8-10H2,1-3H3,(H,17,20)
InChIKeyASBWUNHLMHDPNL-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.14
Rot. Bonds4

About 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide

1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide (PubChem CID 75460645) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
PubChem CID75460645
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H22N2O4S/c1-11(12-4-6-14(7-5-12)23(3,21)22)17-16(20)13-8-9-18(2)15(19)10-13/h4-7,11,13H,8-10H2,1-3H3,(H,17,20)
InChIKeyASBWUNHLMHDPNL-UHFFFAOYSA-N
XLogP1.14
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide (CID 75460645) is 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide is CC(NC(=O)C1CCN(C)C(=O)C1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is ASBWUNHLMHDPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(12-4-6-14(7-5-12)23(3,21)22)17-16(20)13-8-9-18(2)15(19)10-13/h4-7,11,13H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 75460645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).