1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H24N4O3S — CID 46957201

IUPAC1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCCN1CC(C(=O)N2CCN(c3nccs3)CC2)CC1=O
InChIInChI=1S/C16H24N4O3S/c1-23-9-2-4-20-12-13(11-14(20)21)15(22)18-5-7-19(8-6-18)16-17-3-10-24-16/h3,10,13H,2,4-9,11-12H2,1H3
InChIKeyYUJPQKGIJZPYQL-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.68
Rot. Bonds6

About 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46957201) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID46957201
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOCCCN1CC(C(=O)N2CCN(c3nccs3)CC2)CC1=O
InChIInChI=1S/C16H24N4O3S/c1-23-9-2-4-20-12-13(11-14(20)21)15(22)18-5-7-19(8-6-18)16-17-3-10-24-16/h3,10,13H,2,4-9,11-12H2,1H3
InChIKeyYUJPQKGIJZPYQL-UHFFFAOYSA-N
XLogP0.68
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-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

N-[(4-methylmorpholin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 71872994
(4S)-1-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94047038
3-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 121581389
(3R)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 124628396
(3S)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2,5-dione
CID 124628397
4-(Fluoromethyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899758
4,4-Difluoro-1-[1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidine
CID 165434670
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 45863858
1-[4-[4-(1,3-Thiazol-2-yl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 48428518
1-[3-[4-(1,3-Thiazol-2-yl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 48504466
2-Methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 53498834
1-[2-[2-Methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 68966719

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 46957201) is 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is COCCCN1CC(C(=O)N2CCN(c3nccs3)CC2)CC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YUJPQKGIJZPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-23-9-2-4-20-12-13(11-14(20)21)15(22)18-5-7-19(8-6-18)16-17-3-10-24-16/h3,10,13H,2,4-9,11-12H2,1H3.
What are the key properties of 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 352.46 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46957201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).