[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone

C22H28N2O3 — CID 113074511

IUPAC[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-17-4-7-19(8-5-17)22(25)24-14-12-23(13-15-24)11-10-18-6-9-20(26-2)21(16-18)27-3/h4-9,16H,10-15H2,1-3H3
InChIKeySLLMDKJDZCRBQA-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.01
Rot. Bonds6

About [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 113074511) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID113074511
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(CCN2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O3/c1-17-4-7-19(8-5-17)22(25)24-14-12-23(13-15-24)11-10-18-6-9-20(26-2)21(16-18)27-3/h4-9,16H,10-15H2,1-3H3
InChIKeySLLMDKJDZCRBQA-UHFFFAOYSA-N
XLogP3.01
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 113074518
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 21209978
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-(4-methylphenyl)propan-1-one
CID 108543805
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113073131
(3,4-dimethoxyphenyl)-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395729
1-[4-[[4-methoxy-3-[1-[4-(4-methylphenyl)benzoyl]piperidin-4-yl]oxyphenyl]methyl]piperazin-1-yl]ethanone
CID 45202370

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 113074511) is [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone is COc1ccc(CCN2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OC.
What is the InChIKey of [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is SLLMDKJDZCRBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-4-7-19(8-5-17)22(25)24-14-12-23(13-15-24)11-10-18-6-9-20(26-2)21(16-18)27-3/h4-9,16H,10-15H2,1-3H3.
What are the key properties of [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 368.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 113074511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).