2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

C22H28N2O4 — CID 28806

IUPAC2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-26-20-13-18(14-21(27-2)22(20)28-3)19(25)16-24-11-9-23(10-12-24)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3
InChIKeyJWQMEGYQWJZJAO-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.71
Rot. Bonds8

About 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone

2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 28806) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID28806
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H28N2O4/c1-26-20-13-18(14-21(27-2)22(20)28-3)19(25)16-24-11-9-23(10-12-24)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3
InChIKeyJWQMEGYQWJZJAO-UHFFFAOYSA-N
XLogP2.71
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone 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

2-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 13306108
(4-benzylpiperazin-1-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 9338329
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55647454
1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 126476486
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone;oxalic acid
CID 17367991
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34132427
[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28754
1-(4-aminophenyl)-2-(4-benzylpiperazin-1-yl)ethanone;trihydrochloride
CID 86606198
(4-benzylpiperazin-1-yl)-(3,4-dimethoxyphenyl)methanethione
CID 1291602
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1116488

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone (CID 28806) is 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is JWQMEGYQWJZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-20-13-18(14-21(27-2)22(20)28-3)19(25)16-24-11-9-23(10-12-24)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone?
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 384.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 28806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).