[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone

C23H28N2O2 — CID 112811843

IUPAC[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(C)cc(C)c3)C(C)C2)c1
InChIInChI=1S/C23H28N2O2/c1-15-8-16(2)11-20(10-15)22(26)24-6-7-25(19(5)14-24)23(27)21-12-17(3)9-18(4)13-21/h8-13,19H,6-7,14H2,1-5H3
InChIKeyJJLPXGBVXBUXGS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.91
Rot. Bonds2

About [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone

[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone (PubChem CID 112811843) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
PubChem CID112811843
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(C)cc(C)c3)C(C)C2)c1
InChIInChI=1S/C23H28N2O2/c1-15-8-16(2)11-20(10-15)22(26)24-6-7-25(19(5)14-24)23(27)21-12-17(3)9-18(4)13-21/h8-13,19H,6-7,14H2,1-5H3
InChIKeyJJLPXGBVXBUXGS-UHFFFAOYSA-N
XLogP3.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-4-(4-iodobenzoyl)-3-methylpiperazin-1-yl]-(4-iodophenyl)methanone
CID 98089596
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
[3-[(2R)-2-methylaziridine-1-carbonyl]-5-[(2S)-2-methylaziridine-1-carbonyl]phenyl]-[(2R)-2-methylaziridin-1-yl]methanone
CID 98086105
(4-chloro-3-methylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone
CID 114683018
[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 32515989
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
[4-[3-(difluoromethoxy)benzoyl]-3-methylpiperazin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 112811910
1-[(2R)-4-(2,6-dimethoxypyridine-4-carbonyl)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 172889356
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3,5-dimethylphenyl)methanone
CID 81482499
(3,5-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42883607
1-(4-benzoyl-2-methylpiperazin-1-yl)propane-1,2-dione
CID 23568523
4-methyl-5-[(3S)-3-methyl-4-(4-methyl-6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 127464891

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone (CID 112811843) is [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)N2CCN(C(=O)c3cc(C)cc(C)c3)C(C)C2)c1.
What is the InChIKey of [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone?
The InChIKey is JJLPXGBVXBUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15-8-16(2)11-20(10-15)22(26)24-6-7-25(19(5)14-24)23(27)21-12-17(3)9-18(4)13-21/h8-13,19H,6-7,14H2,1-5H3.
What are the key properties of [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone?
[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 112811843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).