(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

C20H19Cl2N3O3 — CID 1261391

IUPAC(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N3O3/c21-13-9-14(22)11-15(10-13)25-19(27)12-17(20(25)28)24-7-5-23(6-8-24)16-3-1-2-4-18(16)26/h1-4,9-11,17,26H,5-8,12H2/t17-/m0/s1
InChIKeyZCPRVYWDCPIWIQ-KRWDZBQOSA-N
MW420.30 g/mol
LogP3.15
Rot. Bonds3

About (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 1261391) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID1261391
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H19Cl2N3O3/c21-13-9-14(22)11-15(10-13)25-19(27)12-17(20(25)28)24-7-5-23(6-8-24)16-3-1-2-4-18(16)26/h1-4,9-11,17,26H,5-8,12H2/t17-/m0/s1
InChIKeyZCPRVYWDCPIWIQ-KRWDZBQOSA-N
XLogP3.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 3406382
(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1369612
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1353414
(3S)-1-(3,5-dichlorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1365161
3-(4-benzylpiperazin-1-yl)-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 3109148
(3S)-1-(2,6-dimethylphenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2652727
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
1-[(3R)-1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 41281887
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081
(3S)-1-(3,5-dichlorophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7083208
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3R)-1-(3,5-dichlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidine-2,5-dione
CID 2000820

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 1261391) is (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is O=C1C[C@H](N2CCN(c3ccccc3O)CC2)C(=O)N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is ZCPRVYWDCPIWIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c21-13-9-14(22)11-15(10-13)25-19(27)12-17(20(25)28)24-7-5-23(6-8-24)16-3-1-2-4-18(16)26/h1-4,9-11,17,26H,5-8,12H2/t17-/m0/s1.
What are the key properties of (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
(3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 420.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dichlorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 1261391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).