(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one

C21H24N2O3 — CID 96579712

IUPAC(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1ccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3C)CC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-6-15(2)19(11-14)21(25)22-13-20(24)23(12-16(22)3)17-7-9-18(26-4)10-8-17/h5-11,16H,12-13H2,1-4H3/t16-/m0/s1
InChIKeyAKVFTZUIBUBEBZ-INIZCTEOSA-N
MW352.43 g/mol
LogP3.19
Rot. Bonds3

About (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one

(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one (PubChem CID 96579712) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
PubChem CID96579712
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1ccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3C)CC2=O)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-6-15(2)19(11-14)21(25)22-13-20(24)23(12-16(22)3)17-7-9-18(26-4)10-8-17/h5-11,16H,12-13H2,1-4H3/t16-/m0/s1
InChIKeyAKVFTZUIBUBEBZ-INIZCTEOSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-4-(2-methoxy-5-methylbenzoyl)-5-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96575127
(5S)-4-(2-methoxypyridine-4-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96582112
(5S)-4-(2-acetylbenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96577871
(5S)-4-(2-fluoro-6-methoxybenzoyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 97041649
(5S)-4-(2-hydroxy-3-methoxybenzoyl)-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96579782
(5S)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571041
(5R)-4-(2,4-dimethylpyrimidine-5-carbonyl)-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 96571042
(5S)-1-(4-chlorophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-5-methylpiperazin-2-one
CID 96578164
(3S)-4-(5-chloro-2-methylbenzoyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 97135197
(5S)-4-[2-(difluoromethoxy)benzoyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96575172
5-[(2S)-2-methyl-4-(4-methylphenyl)-5-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96576291
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
The IUPAC name of (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one (CID 96579712) is (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one is COc1ccc(N2C[C@H](C)N(C(=O)c3cc(C)ccc3C)CC2=O)cc1.
What is the InChIKey of (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
The InChIKey is AKVFTZUIBUBEBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-5-6-15(2)19(11-14)21(25)22-13-20(24)23(12-16(22)3)17-7-9-18(26-4)10-8-17/h5-11,16H,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 96579712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).