(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione

C21H23ClN4O2 — CID 7327225

IUPAC(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN(CCc3ccncc3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O2/c22-17-1-3-18(4-2-17)26-20(27)15-19(21(26)28)25-13-11-24(12-14-25)10-7-16-5-8-23-9-6-16/h1-6,8-9,19H,7,10-15H2/t19-/m0/s1
InChIKeyMFWDYMNYOJECQD-IBGZPJMESA-N
MW398.89 g/mol
LogP2.23
Rot. Bonds5

About (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 7327225) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID7327225
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN(CCc3ccncc3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O2/c22-17-1-3-18(4-2-17)26-20(27)15-19(21(26)28)25-13-11-24(12-14-25)10-7-16-5-8-23-9-6-16/h1-6,8-9,19H,7,10-15H2/t19-/m0/s1
InChIKeyMFWDYMNYOJECQD-IBGZPJMESA-N
XLogP2.23
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-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

(3R)-1-(4-ethoxyphenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7327223
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
1-(4-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2832597
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851
3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 2851208
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 5306089
1-(4-ethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 43844144
3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1353414
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 7327225) is (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H](N2CCN(CCc3ccncc3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is MFWDYMNYOJECQD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-17-1-3-18(4-2-17)26-20(27)15-19(21(26)28)25-13-11-24(12-14-25)10-7-16-5-8-23-9-6-16/h1-6,8-9,19H,7,10-15H2/t19-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 398.89 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 7327225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).