2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide

C13H23N3O4S — CID 69119499

IUPAC2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(N2CCC(C(N)=O)C2=O)CC1
InChIInChI=1S/C13H23N3O4S/c1-9(2)21(19,20)15-6-3-10(4-7-15)16-8-5-11(12(14)17)13(16)18/h9-11H,3-8H2,1-2H3,(H2,14,17)
InChIKeyNGRHUODUWRDKGS-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.48
Rot. Bonds4

About 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide

2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 69119499) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID69119499
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(N2CCC(C(N)=O)C2=O)CC1
InChIInChI=1S/C13H23N3O4S/c1-9(2)21(19,20)15-6-3-10(4-7-15)16-8-5-11(12(14)17)13(16)18/h9-11H,3-8H2,1-2H3,(H2,14,17)
InChIKeyNGRHUODUWRDKGS-UHFFFAOYSA-N
XLogP-0.48
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethylpiperidin-4-yl)-2-oxopyrrolidine-3-carboxamide
CID 69419093
1-(1-cyclohexylpiperidin-4-yl)-2-oxopiperidine-3-carboxamide
CID 69421394
1-propan-2-ylsulfonyl-4-(triazol-2-yl)piperidine
CID 121165139
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
2-(4-carbamoylpiperidin-1-yl)sulfonylpropanoic acid
CID 54947165
3-methoxy-1-propan-2-yl-4-(1-propan-2-ylsulfonylpiperidin-4-yl)azetidin-2-one
CID 171142393
3-(1-propan-2-ylsulfonylpiperidin-4-yl)propanoic acid
CID 62217499
1-ethenyl-2-oxopyrrolidine-3-carboxamide
CID 134257442
2-methyl-7-propan-2-ylsulfonyl-7-azaspiro[3.5]nonan-3-ol
CID 137386996
(1-propan-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62064103
(3R)-3,4-dimethyl-1-propan-2-ylsulfonylpiperidine
CID 177325459

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 69119499) is 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide is CC(C)S(=O)(=O)N1CCC(N2CCC(C(N)=O)C2=O)CC1.
What is the InChIKey of 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is NGRHUODUWRDKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-9(2)21(19,20)15-6-3-10(4-7-15)16-8-5-11(12(14)17)13(16)18/h9-11H,3-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide?
2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(1-propan-2-ylsulfonylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 69119499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).