1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione

C19H24ClN3O3 — CID 127038254

IUPAC1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C19H24ClN3O3/c1-13(23-16(24)12-19(2,3)18(23)26)17(25)22-9-7-21(8-10-22)15-6-4-5-14(20)11-15/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyHURNTMVFWQRKKH-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.16
Rot. Bonds3

About 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione

1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 127038254) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID127038254
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C19H24ClN3O3/c1-13(23-16(24)12-19(2,3)18(23)26)17(25)22-9-7-21(8-10-22)15-6-4-5-14(20)11-15/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyHURNTMVFWQRKKH-UHFFFAOYSA-N
XLogP2.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione (CID 127038254) is 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione is CC(C(=O)N1CCN(c2cccc(Cl)c2)CC1)N1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is HURNTMVFWQRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-13(23-16(24)12-19(2,3)18(23)26)17(25)22-9-7-21(8-10-22)15-6-4-5-14(20)11-15/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 377.87 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 127038254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).