2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone

C23H28N2O4 — CID 110366592

IUPAC2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CC(=O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-16-5-6-17(2)21(11-16)22(26)15-24-7-9-25(10-8-24)23(27)18-12-19(28-3)14-20(13-18)29-4/h5-6,11-14H,7-10,15H2,1-4H3
InChIKeyRGFLKXVRHICOEY-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone

2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone (PubChem CID 110366592) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
PubChem CID110366592
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(CC(=O)c3cc(C)ccc3C)CC2)c1
InChIInChI=1S/C23H28N2O4/c1-16-5-6-17(2)21(11-16)22(26)15-24-7-9-25(10-8-24)23(27)18-12-19(28-3)14-20(13-18)29-4/h5-6,11-14H,7-10,15H2,1-4H3
InChIKeyRGFLKXVRHICOEY-UHFFFAOYSA-N
XLogP2.96
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]ethanone
CID 110366584
(3,5-dimethoxyphenyl)-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 110399171
1-(2,4-dimethylphenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366678
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 32824583
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone
CID 61445683
1-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972910
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-methylacetamide
CID 78803734
(3,5-dimethoxyphenyl)-[4-(1,3-dioxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 122135627
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone (CID 110366592) is 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone is COc1cc(OC)cc(C(=O)N2CCN(CC(=O)c3cc(C)ccc3C)CC2)c1.
What is the InChIKey of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone?
The InChIKey is RGFLKXVRHICOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-5-6-17(2)21(11-16)22(26)15-24-7-9-25(10-8-24)23(27)18-12-19(28-3)14-20(13-18)29-4/h5-6,11-14H,7-10,15H2,1-4H3.
What are the key properties of 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone?
2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone has a molecular weight of 396.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-1-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 110366592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).