1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one

C15H20N2O2S — CID 75538102

IUPAC1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCCCC2)C1c1cccs1
InChIInChI=1S/C15H20N2O2S/c1-16-13(18)10-11(14(16)12-6-5-9-20-12)15(19)17-7-3-2-4-8-17/h5-6,9,11,14H,2-4,7-8,10H2,1H3
InChIKeyHMOZTPBUYNUUEO-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.28
Rot. Bonds2

About 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one

1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one (PubChem CID 75538102) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
PubChem CID75538102
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
SMILESCN1C(=O)CC(C(=O)N2CCCCC2)C1c1cccs1
InChIInChI=1S/C15H20N2O2S/c1-16-13(18)10-11(14(16)12-6-5-9-20-12)15(19)17-7-3-2-4-8-17/h5-6,9,11,14H,2-4,7-8,10H2,1H3
InChIKeyHMOZTPBUYNUUEO-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-1-methyl-4-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one
CID 97457021
1-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953964
(2S)-4-[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 125152129
(4S,5S)-4-[(3S)-3-(aminomethyl)pyrrolidine-1-carbonyl]-1-methyl-5-thiophen-2-ylpyrrolidin-2-one
CID 125146356
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
2-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
(2S,3S)-N-(cyclopropylmethyl)-N,1-dimethyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 95748637
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one (CID 75538102) is 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one is CN1C(=O)CC(C(=O)N2CCCCC2)C1c1cccs1.
What is the InChIKey of 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
The InChIKey is HMOZTPBUYNUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-16-13(18)10-11(14(16)12-6-5-9-20-12)15(19)17-7-3-2-4-8-17/h5-6,9,11,14H,2-4,7-8,10H2,1H3.
What are the key properties of 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one?
1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one has a molecular weight of 292.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperidine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-2-one is sourced from PubChem (CID 75538102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).