2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide

C14H25N3O2 — CID 108876894

IUPAC2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CCCCC2C)CC1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)17-9-12(8-13(17)18)15-14(19)16-7-5-4-6-11(16)3/h10-12H,4-9H2,1-3H3,(H,15,19)
InChIKeyQQSMXESSYFXUJG-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.58
Rot. Bonds2

About 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide

2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide (PubChem CID 108876894) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide
PubChem CID108876894
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide
SMILESCC(C)N1CC(NC(=O)N2CCCCC2C)CC1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)17-9-12(8-13(17)18)15-14(19)16-7-5-4-6-11(16)3/h10-12H,4-9H2,1-3H3,(H,15,19)
InChIKeyQQSMXESSYFXUJG-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 108875809
(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
5-methyl-1-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122869
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
CID 43969528
tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
CID 168817443
N-cyclobutyl-2-methylpyrrolidine-1-carboxamide
CID 115664840
1,3,3-trimethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108876948
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108876913
2-ethyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 110736652
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110746036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide (CID 108876894) is 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide is CC(C)N1CC(NC(=O)N2CCCCC2C)CC1=O.
What is the InChIKey of 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide?
The InChIKey is QQSMXESSYFXUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)17-9-12(8-13(17)18)15-14(19)16-7-5-4-6-11(16)3/h10-12H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide?
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108876894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).