1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

C21H24N2O2 — CID 110818154

IUPAC1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-6-8-19(9-7-16)21(25)23-12-10-22(11-13-23)20(24)15-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyPKXFYJYXXBDNEJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 110818154) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID110818154
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C21H24N2O2/c1-16-6-8-19(9-7-16)21(25)23-12-10-22(11-13-23)20(24)15-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3
InChIKeyPKXFYJYXXBDNEJ-UHFFFAOYSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-1-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 60619856
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818383
1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethanone
CID 38463044
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
2-[4-[2-(3-methylphenyl)acetyl]piperazine-1-carbonyl]benzoic acid
CID 113083261
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethanone
CID 108935035
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
(4-methylphenyl)-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365452
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110365749
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 110818154) is 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is Cc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is PKXFYJYXXBDNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-6-8-19(9-7-16)21(25)23-12-10-22(11-13-23)20(24)15-18-5-3-4-17(2)14-18/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 110818154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).