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

C16H20ClN3O2 — CID 6462900

IUPAC1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H20ClN3O2/c1-18-6-8-19(9-7-18)16(22)12-10-15(21)20(11-12)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyUXLHJMOISNDSBH-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.47
Rot. Bonds2

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

1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 6462900) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID6462900
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C16H20ClN3O2/c1-18-6-8-19(9-7-18)16(22)12-10-15(21)20(11-12)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyUXLHJMOISNDSBH-UHFFFAOYSA-N
XLogP1.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.47
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-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 6462900) is 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CN1CCN(C(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is UXLHJMOISNDSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-18-6-8-19(9-7-18)16(22)12-10-15(21)20(11-12)14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-chlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 321.81 g/mol, XLogP of 1.47, 2 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-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 6462900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).