1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one

C20H22N2O3 — CID 42847321

IUPAC1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(C)c3)C(C)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-5-4-6-16(13-14)20(24)21-11-12-22(19(23)15(21)2)17-7-9-18(25-3)10-8-17/h4-10,13,15H,11-12H2,1-3H3
InChIKeyHPWOZMUDANWUPM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one

1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (PubChem CID 42847321) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
PubChem CID42847321
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(C)c3)C(C)C2=O)cc1
InChIInChI=1S/C20H22N2O3/c1-14-5-4-6-16(13-14)20(24)21-11-12-22(19(23)15(21)2)17-7-9-18(25-3)10-8-17/h4-10,13,15H,11-12H2,1-3H3
InChIKeyHPWOZMUDANWUPM-UHFFFAOYSA-N
XLogP2.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
4-(3-chlorobenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 42847320
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321791
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
(3S)-1-(4-methoxyphenyl)-3-methyl-4-(thiophene-3-carbonyl)piperazin-2-one
CID 96579371
(3S)-1-(2-fluoro-5-methylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 93321433
(3S)-4-(3-bromobenzoyl)-3-methyl-1-(4-phenoxyphenyl)piperazin-2-one
CID 93290677
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one (CID 42847321) is 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one is COc1ccc(N2CCN(C(=O)c3cccc(C)c3)C(C)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
The InChIKey is HPWOZMUDANWUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-5-4-6-16(13-14)20(24)21-11-12-22(19(23)15(21)2)17-7-9-18(25-3)10-8-17/h4-10,13,15H,11-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one?
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 42847321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).