3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione

C20H26N4O3S — CID 42099253

IUPAC3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)CSC1=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H26N4O3S/c25-18(14-24-19(26)15-28-20(24)27)23-8-4-7-17(13-23)22-11-9-21(10-12-22)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2/t17-/m1/s1
InChIKeyOYJXUBFTBXOZOS-QGZVFWFLSA-N
MW402.52 g/mol
LogP1.50
Rot. Bonds4

About 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione

3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 42099253) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID42099253
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)CSC1=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H26N4O3S/c25-18(14-24-19(26)15-28-20(24)27)23-8-4-7-17(13-23)22-11-9-21(10-12-22)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2/t17-/m1/s1
InChIKeyOYJXUBFTBXOZOS-QGZVFWFLSA-N
XLogP1.50
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione 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

4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 95590167
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
3-[2-oxo-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 45251428
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 25274910
(3S)-1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119137272
ethyl 2-[[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533742
ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533744
3-[2-[3-(4-fluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 24791370
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
2-(azepan-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 42518071
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione (CID 42099253) is 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)CSC1=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OYJXUBFTBXOZOS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O3S/c25-18(14-24-19(26)15-28-20(24)27)23-8-4-7-17(13-23)22-11-9-21(10-12-22)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2/t17-/m1/s1.
What are the key properties of 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 402.52 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 42099253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).