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

C19H18ClFN2O3 — CID 46036410

IUPAC1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(F)c2)C(C)C1=O
InChIInChI=1S/C19H18ClFN2O3/c1-12-18(24)23(16-11-14(20)6-7-17(16)26-2)9-8-22(12)19(25)13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyCUNVFELFNVLTJL-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.37
Rot. Bonds3

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

1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one (PubChem CID 46036410) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
PubChem CID46036410
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
SMILESCOc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(F)c2)C(C)C1=O
InChIInChI=1S/C19H18ClFN2O3/c1-12-18(24)23(16-11-14(20)6-7-17(16)26-2)9-8-22(12)19(25)13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3
InChIKeyCUNVFELFNVLTJL-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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one (CID 46036410) is 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one is COc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(F)c2)C(C)C1=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
The InChIKey is CUNVFELFNVLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-12-18(24)23(16-11-14(20)6-7-17(16)26-2)9-8-22(12)19(25)13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one?
1-(5-chloro-2-methoxyphenyl)-4-(3-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-(3-fluorobenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).