(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

C15H17Cl2N3O2 — CID 682977

IUPAC(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1
InChIInChI=1S/C15H17Cl2N3O2/c1-18-4-6-19(7-5-18)13-9-14(21)20(15(13)22)12-3-2-10(16)8-11(12)17/h2-3,8,13H,4-7,9H2,1H3/t13-/m0/s1
InChIKeyZJMJEIFCGONJEY-ZDUSSCGKSA-N
MW342.23 g/mol
LogP1.87
Rot. Bonds2

About (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 682977) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID682977
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1
InChIInChI=1S/C15H17Cl2N3O2/c1-18-4-6-19(7-5-18)13-9-14(21)20(15(13)22)12-3-2-10(16)8-11(12)17/h2-3,8,13H,4-7,9H2,1H3/t13-/m0/s1
InChIKeyZJMJEIFCGONJEY-ZDUSSCGKSA-N
XLogP1.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-benzylpiperazin-1-yl)-1-(2,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 93235132
(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
CID 29101420
1-[(3S)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27805301
ethyl (3S)-1-[(3R)-1-(2,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 27522214
1-(3-chlorophenyl)-3-[4-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 3091910
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2852672
(3S)-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1291643
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 43840960
(3R)-3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 2107813
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-fluorophenyl)pyrrolidine-2,5-dione
CID 1109081
1-[1-(2,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 17121345
(3S)-1-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1098265

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 682977) is (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is CN1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3Cl)C2=O)CC1.
What is the InChIKey of (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ZJMJEIFCGONJEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-18-4-6-19(7-5-18)13-9-14(21)20(15(13)22)12-3-2-10(16)8-11(12)17/h2-3,8,13H,4-7,9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
(3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 342.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,4-dichlorophenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).