2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

C20H24N2O3 — CID 783637

IUPAC2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-24-18-9-8-16(14-19(18)25-2)15-20(23)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyRKANZFVMJQLDRG-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.60
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 783637) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID783637
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-24-18-9-8-16(14-19(18)25-2)15-20(23)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3
InChIKeyRKANZFVMJQLDRG-UHFFFAOYSA-N
XLogP2.60
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
4-Dimethylamino-3',4'-dimethoxychalcone
CID 6156423
3-Methoxy-O-demethylencainide
CID 54737
W54011
CID 5311122
Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-ethoxyphenyl)-
CID 121102
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
3-{[2-(3,4-Dimethoxyphenyl)ethyl](methyl)amino}-1-phenylpyrrolidine-2,5-dione
CID 3679102

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 783637) is 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is RKANZFVMJQLDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-9-8-16(14-19(18)25-2)15-20(23)22-12-10-21(11-13-22)17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 783637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).