1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H22ClN3O2 — CID 6497603

IUPAC1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C17H22ClN3O2/c1-2-19-7-9-20(10-8-19)17(23)13-11-16(22)21(12-13)15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyIVMIBJIEYGNNOD-UHFFFAOYSA-N
MW335.83 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6497603) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID6497603
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C17H22ClN3O2/c1-2-19-7-9-20(10-8-19)17(23)13-11-16(22)21(12-13)15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKeyIVMIBJIEYGNNOD-UHFFFAOYSA-N
XLogP1.86
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 6497603) is 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one is CCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is IVMIBJIEYGNNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-2-19-7-9-20(10-8-19)17(23)13-11-16(22)21(12-13)15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 335.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6497603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).