(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one

C21H24N2O4 — CID 93321791

IUPAC(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2=O)c1
InChIInChI=1S/C21H24N2O4/c1-14-5-7-16(8-6-14)21(25)22-9-10-23(20(24)15(22)2)17-11-18(26-3)13-19(12-17)27-4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m0/s1
InChIKeyUESXAGSWZLJAQT-HNNXBMFYSA-N
MW368.43 g/mol
LogP2.89
Rot. Bonds4

About (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one

(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (PubChem CID 93321791) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
PubChem CID93321791
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2=O)c1
InChIInChI=1S/C21H24N2O4/c1-14-5-7-16(8-6-14)21(25)22-9-10-23(20(24)15(22)2)17-11-18(26-3)13-19(12-17)27-4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m0/s1
InChIKeyUESXAGSWZLJAQT-HNNXBMFYSA-N
XLogP2.89
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-(3,4-dichlorobenzoyl)-1-(3,5-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 93322542
1-(3-chloro-4-methylphenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036453
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93322323
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
1-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
(3S)-1-(3,5-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292634
1-(3,5-dimethoxyphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716731
1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
CID 24716466
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036020
(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93321508

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The IUPAC name of (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one (CID 93321791) is (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The canonical SMILES for (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one is COc1cc(OC)cc(N2CCN(C(=O)c3ccc(C)cc3)[C@@H](C)C2=O)c1.
What is the InChIKey of (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
The InChIKey is UESXAGSWZLJAQT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-5-7-16(8-6-14)21(25)22-9-10-23(20(24)15(22)2)17-11-18(26-3)13-19(12-17)27-4/h5-8,11-13,15H,9-10H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one?
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 93321791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).