[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

C23H28N2O2 — CID 55574956

IUPAC[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1C
InChIInChI=1S/C23H28N2O2/c1-16(2)19-7-9-20(10-8-19)22(26)24-11-13-25(14-12-24)23(27)21-6-5-17(3)18(4)15-21/h5-10,15-16H,11-14H2,1-4H3
InChIKeyJISTVQLFKSQWRL-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.03
Rot. Bonds3

About [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 55574956) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID55574956
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1C
InChIInChI=1S/C23H28N2O2/c1-16(2)19-7-9-20(10-8-19)22(26)24-11-13-25(14-12-24)23(27)21-6-5-17(3)18(4)15-21/h5-10,15-16H,11-14H2,1-4H3
InChIKeyJISTVQLFKSQWRL-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60512130
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 55574956) is [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is JISTVQLFKSQWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)19-7-9-20(10-8-19)22(26)24-11-13-25(14-12-24)23(27)21-6-5-17(3)18(4)15-21/h5-10,15-16H,11-14H2,1-4H3.
What are the key properties of [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone?
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 55574956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).