1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one

C19H18ClFN2O3 — CID 70719490

IUPAC1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
SMILESCOc1ccc(F)cc1C(=O)N1CC(=O)N(c2cccc(Cl)c2)CC1C
InChIInChI=1S/C19H18ClFN2O3/c1-12-10-23(15-5-3-4-13(20)8-15)18(24)11-22(12)19(25)16-9-14(21)6-7-17(16)26-2/h3-9,12H,10-11H2,1-2H3
InChIKeyUDUWEVALTZQLMU-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one

1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one (PubChem CID 70719490) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
PubChem CID70719490
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one
SMILESCOc1ccc(F)cc1C(=O)N1CC(=O)N(c2cccc(Cl)c2)CC1C
InChIInChI=1S/C19H18ClFN2O3/c1-12-10-23(15-5-3-4-13(20)8-15)18(24)11-22(12)19(25)16-9-14(21)6-7-17(16)26-2/h3-9,12H,10-11H2,1-2H3
InChIKeyUDUWEVALTZQLMU-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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Related Compounds

(5S)-1-(3-chlorophenyl)-4-(3,5-difluorobenzoyl)-5-methylpiperazin-2-one
CID 96576956
(5S)-4-(2-hydroxy-3-methoxybenzoyl)-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96579782
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5S)-4-(2-methoxy-5-methylbenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96575127
1-(4-chlorophenyl)-4-[(5-fluoro-2-methoxyphenyl)methyl]-5-methylpiperazin-2-one
CID 70706283
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96575172
(3R)-1-(3-chlorophenyl)-N-[2-[(2-methoxybenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 29134608
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one (CID 70719490) is 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one is COc1ccc(F)cc1C(=O)N1CC(=O)N(c2cccc(Cl)c2)CC1C.
What is the InChIKey of 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one?
The InChIKey is UDUWEVALTZQLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c1-12-10-23(15-5-3-4-13(20)8-15)18(24)11-22(12)19(25)16-9-14(21)6-7-17(16)26-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one?
1-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-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-(3-chlorophenyl)-4-(5-fluoro-2-methoxybenzoyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 70719490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).