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

C15H18ClN3O2 — CID 2839645

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C15H18ClN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3
InChIKeyHEQHICYKESGVMJ-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.22
Rot. Bonds2

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

3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione (PubChem CID 2839645) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
PubChem CID2839645
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(Cl)cc3)CC2)C1=O
InChIInChI=1S/C15H18ClN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3
InChIKeyHEQHICYKESGVMJ-UHFFFAOYSA-N
XLogP1.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.22
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

N-Phenyl-2-piperidinosuccinimide
CID 250855
Felipyrine
CID 71108
1-(4-Chlorophenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 217803
1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one
CID 258327
N-(p-Chlorophenyl)succinimide
CID 81369
1-(3-Chlorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 2855815
1-(3-Chlorophenyl)-3-(diethylamino)pyrrolidine-2,5-dione
CID 2840997
Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-
CID 3072306
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-hydroxyheptanamide
CID 3711227
1-(3,4-dichlorophenyl)-3-(N-hydroxyanilino)pyrrolidine-2,5-dione
CID 3797035
N-(4-chlorophenyl)-2-(2-oxo-1-pyrrolidinyl)butanamide
CID 4120877
1-(4-Chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6462900

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione (CID 2839645) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(c3ccc(Cl)cc3)CC2)C1=O.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
The InChIKey is HEQHICYKESGVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-17-14(20)10-13(15(17)21)19-8-6-18(7-9-19)12-4-2-11(16)3-5-12/h2-5,13H,6-10H2,1H3.
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione?
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione has a molecular weight of 307.78 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 2839645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).