1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione

C19H24ClN3O3 — CID 127032065

IUPAC1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C19H24ClN3O3/c1-3-19(2)12-16(24)23(18(19)26)13-17(25)22-9-7-21(8-10-22)15-6-4-5-14(20)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyKRMVSDMLOSIGRO-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.16
Rot. Bonds4

About 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 127032065) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID127032065
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C19H24ClN3O3/c1-3-19(2)12-16(24)23(18(19)26)13-17(25)22-9-7-21(8-10-22)15-6-4-5-14(20)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyKRMVSDMLOSIGRO-UHFFFAOYSA-N
XLogP2.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 127032065) is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1=O.
What is the InChIKey of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is KRMVSDMLOSIGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-3-19(2)12-16(24)23(18(19)26)13-17(25)22-9-7-21(8-10-22)15-6-4-5-14(20)11-15/h4-6,11H,3,7-10,12-13H2,1-2H3.
What are the key properties of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione?
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 377.87 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 127032065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).