(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one

C12H21N3O2 — CID 142158964

IUPAC(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
SMILESCN[C@H]1CCCN(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-13-10-5-4-8-15(12(10)17)9-11(16)14-6-2-3-7-14/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyWQMJRGXJCJBDPR-JTQLQIEISA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds3

About (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one

(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one (PubChem CID 142158964) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
PubChem CID142158964
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
SMILESCN[C@H]1CCCN(CC(=O)N2CCCC2)C1=O
InChIInChI=1S/C12H21N3O2/c1-13-10-5-4-8-15(12(10)17)9-11(16)14-6-2-3-7-14/h10,13H,2-9H2,1H3/t10-/m0/s1
InChIKeyWQMJRGXJCJBDPR-JTQLQIEISA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one 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

2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
tert-butyl N-[(3R)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamate
CID 59969833
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
2-methyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]benzamide
CID 59873509
4-bromo-N-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]benzenesulfonamide
CID 20581126
2,2-dimethyl-3-[3-(methylamino)-2-oxopiperidin-1-yl]propanamide
CID 106277942
3,5-dimethyl-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]-1,2-oxazole-4-sulfonamide
CID 10407680
1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
1-(4-hydroxypentyl)-3-(methylamino)piperidin-2-one
CID 106137678
2-(4-chlorophenyl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]ethenesulfonamide
CID 91183282
3-(methylamino)-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-one
CID 106432536
1-(4-chlorophenyl)-3-[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]thiourea
CID 22945861

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
The IUPAC name of (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one (CID 142158964) is (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one is CN[C@H]1CCCN(CC(=O)N2CCCC2)C1=O.
What is the InChIKey of (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
The InChIKey is WQMJRGXJCJBDPR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-10-5-4-8-15(12(10)17)9-11(16)14-6-2-3-7-14/h10,13H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one?
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one is sourced from PubChem (CID 142158964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).