1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one

C19H18ClFN2O3 — CID 42682814

IUPAC1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)cc2)C(C)C1=O
InChIInChI=1S/C19H18ClFN2O3/c1-12-18(24)23(16-11-14(20)5-8-17(16)26-2)10-9-22(12)19(25)13-3-6-15(21)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLOHRZCXTMKXZCY-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.37
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one

1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one (PubChem CID 42682814) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
PubChem CID42682814
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)cc2)C(C)C1=O
InChIInChI=1S/C19H18ClFN2O3/c1-12-18(24)23(16-11-14(20)5-8-17(16)26-2)10-9-22(12)19(25)13-3-6-15(21)7-4-13/h3-8,11-12H,9-10H2,1-2H3
InChIKeyLOHRZCXTMKXZCY-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one (CID 42682814) is 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one is COc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(F)cc2)C(C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one?
The InChIKey is LOHRZCXTMKXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-12-18(24)23(16-11-14(20)5-8-17(16)26-2)10-9-22(12)19(25)13-3-6-15(21)7-4-13/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one?
1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one has a molecular weight of 376.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 42682814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).