(5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one

C20H22N2O2S — CID 96573227

IUPAC(5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one
SMILESCSc1ccccc1C(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1C
InChIInChI=1S/C20H22N2O2S/c1-14-8-4-6-10-17(14)22-12-15(2)21(13-19(22)23)20(24)16-9-5-7-11-18(16)25-3/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNAUPWBJGMBNLOL-OAHLLOKOSA-N
MW354.48 g/mol
LogP3.59
Rot. Bonds3

About (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one

(5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one (PubChem CID 96573227) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one
PubChem CID96573227
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name(5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one
SMILESCSc1ccccc1C(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1C
InChIInChI=1S/C20H22N2O2S/c1-14-8-4-6-10-17(14)22-12-15(2)21(13-19(22)23)20(24)16-9-5-7-11-18(16)25-3/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1
InChIKeyNAUPWBJGMBNLOL-OAHLLOKOSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 70759120
(5R)-4-(3,5-difluorobenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96578225
(5S)-4-(2-methoxy-5-methylbenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96575127
(5S)-5-methyl-1-(2-methylphenyl)-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
CID 96574311
(5S)-4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 97144874
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(2,6-dimethylpiperazin-1-yl)-(2-methylsulfanylphenyl)methanone
CID 79217052
(5S)-4-[(2,3-difluoro-4-methylphenyl)methyl]-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96573671
(4aR,8aS)-4-(2-methylsulfanylbenzoyl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 99841195
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
(5S)-1-(2-chlorophenyl)-4-(3-hydroxybenzoyl)-5-methylpiperazin-2-one
CID 96571770

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one?
The IUPAC name of (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one (CID 96573227) is (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one?
The canonical SMILES for (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one is CSc1ccccc1C(=O)N1CC(=O)N(c2ccccc2C)C[C@H]1C.
What is the InChIKey of (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one?
The InChIKey is NAUPWBJGMBNLOL-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-8-4-6-10-17(14)22-12-15(2)21(13-19(22)23)20(24)16-9-5-7-11-18(16)25-3/h4-11,15H,12-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one?
(5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one has a molecular weight of 354.48 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-(2-methylphenyl)-4-(2-methylsulfanylbenzoyl)piperazin-2-one is sourced from PubChem (CID 96573227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).