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

C22H21Cl2N3O3 — CID 99935790

IUPAC(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1
InChIInChI=1S/C22H21Cl2N3O3/c1-14(28)15-2-4-16(5-3-15)25-8-10-26(11-9-25)20-13-21(29)27(22(20)30)17-6-7-18(23)19(24)12-17/h2-7,12,20H,8-11,13H2,1H3/t20-/m1/s1
InChIKeyMXOQXRIZWDRRPH-HXUWFJFHSA-N
MW446.33 g/mol
LogP3.65
Rot. Bonds4

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

(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (PubChem CID 99935790) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
PubChem CID99935790
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1
InChIInChI=1S/C22H21Cl2N3O3/c1-14(28)15-2-4-16(5-3-15)25-8-10-26(11-9-25)20-13-21(29)27(22(20)30)17-6-7-18(23)19(24)12-17/h2-7,12,20H,8-11,13H2,1H3/t20-/m1/s1
InChIKeyMXOQXRIZWDRRPH-HXUWFJFHSA-N
XLogP3.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
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-(3,4-dichlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2949652
(3S)-1-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 683224
1-[1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 5184417
3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 87048086
(3R)-1-(4-acetylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1238469
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 99935783
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3R)-1-(3-chlorophenyl)-3-[4-[4-(4-fluorobenzoyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 27150944
(3R)-1-(3,4-dichlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1014242
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 99935808
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1353414
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione (CID 99935790) is (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(Cl)c(Cl)c4)C3=O)CC2)cc1.
What is the InChIKey of (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
The InChIKey is MXOQXRIZWDRRPH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-14(28)15-2-4-16(5-3-15)25-8-10-26(11-9-25)20-13-21(29)27(22(20)30)17-6-7-18(23)19(24)12-17/h2-7,12,20H,8-11,13H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione has a molecular weight of 446.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 99935790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).