4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one

C19H19ClN2O3 — CID 46036252

IUPAC4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2=O)c1
InChIInChI=1S/C19H19ClN2O3/c1-13-18(23)22(16-4-3-5-17(12-16)25-2)11-10-21(13)19(24)14-6-8-15(20)9-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyYPASUFAQLFEJNT-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.23
Rot. Bonds3

About 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one

4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 46036252) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID46036252
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2=O)c1
InChIInChI=1S/C19H19ClN2O3/c1-13-18(23)22(16-4-3-5-17(12-16)25-2)11-10-21(13)19(24)14-6-8-15(20)9-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyYPASUFAQLFEJNT-UHFFFAOYSA-N
XLogP3.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321791
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (CID 46036252) is 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is COc1cccc(N2CCN(C(=O)c3ccc(Cl)cc3)C(C)C2=O)c1.
What is the InChIKey of 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is YPASUFAQLFEJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13-18(23)22(16-4-3-5-17(12-16)25-2)11-10-21(13)19(24)14-6-8-15(20)9-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 358.83 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 46036252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).