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

C20H22N2O3 — CID 93292651

IUPAC(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2C)[C@@H](C)C1=O
InChIInChI=1S/C20H22N2O3/c1-14-8-4-5-9-16(14)20(24)21-12-13-22(19(23)15(21)2)17-10-6-7-11-18(17)25-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyYFZHMORJLTUKBM-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.88
Rot. Bonds3

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

(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one (PubChem CID 93292651) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
PubChem CID93292651
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)c2ccccc2C)[C@@H](C)C1=O
InChIInChI=1S/C20H22N2O3/c1-14-8-4-5-9-16(14)20(24)21-12-13-22(19(23)15(21)2)17-10-6-7-11-18(17)25-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyYFZHMORJLTUKBM-HNNXBMFYSA-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

(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 42847356
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-(furan-2-carbonyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 24716235
(3R)-4-(3-bromobenzoyl)-1-(2-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322783
3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
CID 24716351
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
4-(2-chlorobenzoyl)-1-(2-fluorophenyl)-3-methylpiperazin-2-one
CID 24716325

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one (CID 93292651) is (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one is COc1ccccc1N1CCN(C(=O)c2ccccc2C)[C@@H](C)C1=O.
What is the InChIKey of (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
The InChIKey is YFZHMORJLTUKBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-8-4-5-9-16(14)20(24)21-12-13-22(19(23)15(21)2)17-10-6-7-11-18(17)25-3/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one?
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-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 (3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 93292651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).