2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone

C22H26N2O4 — CID 110366345

IUPAC2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(CC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-16-7-9-17(10-8-16)18(25)15-23-11-13-24(14-12-23)22(26)21-19(27-2)5-4-6-20(21)28-3/h4-10H,11-15H2,1-3H3
InChIKeyIHCCZBHXSHPEQO-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds6

About 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone

2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 110366345) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID110366345
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
SMILESCOc1cccc(OC)c1C(=O)N1CCN(CC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C22H26N2O4/c1-16-7-9-17(10-8-16)18(25)15-23-11-13-24(14-12-23)22(26)21-19(27-2)5-4-6-20(21)28-3/h4-10H,11-15H2,1-3H3
InChIKeyIHCCZBHXSHPEQO-UHFFFAOYSA-N
XLogP2.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
CID 110659368
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
phenyl 4-[2-(4-methylphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 110366380
2-[4-(2-fluoro-6-methoxybenzoyl)piperazin-1-yl]acetic acid
CID 65434176
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 110659214
(2,6-dimethoxyphenyl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074998
methyl 4-(2,6-dimethoxybenzoyl)piperazine-1-carboxylate
CID 110818263
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
1-(4-methylphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethanone
CID 110366355
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone (CID 110366345) is 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone is COc1cccc(OC)c1C(=O)N1CCN(CC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is IHCCZBHXSHPEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-16-7-9-17(10-8-16)18(25)15-23-11-13-24(14-12-23)22(26)21-19(27-2)5-4-6-20(21)28-3/h4-10H,11-15H2,1-3H3.
What are the key properties of 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone?
2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 382.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 110366345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).