(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

C21H22N2O3 — CID 96577871

IUPAC(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCC(=O)c1ccccc1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C
InChIInChI=1S/C21H22N2O3/c1-14-8-10-17(11-9-14)23-12-15(2)22(13-20(23)25)21(26)19-7-5-4-6-18(19)16(3)24/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyGLYPSUKQYXDOQF-HNNXBMFYSA-N
MW350.42 g/mol
LogP3.08
Rot. Bonds3

About (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one

(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 96577871) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID96577871
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCC(=O)c1ccccc1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C
InChIInChI=1S/C21H22N2O3/c1-14-8-10-17(11-9-14)23-12-15(2)22(13-20(23)25)21(26)19-7-5-4-6-18(19)16(3)24/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1
InChIKeyGLYPSUKQYXDOQF-HNNXBMFYSA-N
XLogP3.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96575172
4-(2,3-dimethyl-1H-indole-7-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70762552
(5S)-4-(2,3-dimethyl-1H-indole-7-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578620
5-methyl-1-(4-methylphenyl)-4-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-2-one
CID 70751338
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(5R)-5-methyl-1-(4-methylphenyl)-4-(pyrazine-2-carbonyl)piperazin-2-one
CID 96582107
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5R)-5-methyl-1-(4-methylphenyl)-4-(3-phenyl-1,2-oxazole-5-carbonyl)piperazin-2-one
CID 96577215
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one (CID 96577871) is (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is CC(=O)c1ccccc1C(=O)N1CC(=O)N(c2ccc(C)cc2)C[C@@H]1C.
What is the InChIKey of (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is GLYPSUKQYXDOQF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-8-10-17(11-9-14)23-12-15(2)22(13-20(23)25)21(26)19-7-5-4-6-18(19)16(3)24/h4-11,15H,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one?
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 96577871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).