2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone

C21H25FN2O2 — CID 110293051

IUPAC2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(C)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H25FN2O2/c1-3-26-17-10-8-16(9-11-17)14-21(25)24-13-12-23(2)20(15-24)18-6-4-5-7-19(18)22/h4-11,20H,3,12-15H2,1-2H3
InChIKeySCKBSMBFCJJAMH-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone (PubChem CID 110293051) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
PubChem CID110293051
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(C)C(c3ccccc3F)C2)cc1
InChIInChI=1S/C21H25FN2O2/c1-3-26-17-10-8-16(9-11-17)14-21(25)24-13-12-23(2)20(15-24)18-6-4-5-7-19(18)22/h4-11,20H,3,12-15H2,1-2H3
InChIKeySCKBSMBFCJJAMH-UHFFFAOYSA-N
XLogP3.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 110293052
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 110293046
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 110310464
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
1-(3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110741626
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110411560
2-(4-ethoxyphenyl)-1-[2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 110364487
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 110310462
1-(4-chlorophenyl)-4-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110310485
1-(3,5-dimethyl-4-phenylpiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 110602258
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone (CID 110293051) is 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(C)C(c3ccccc3F)C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone?
The InChIKey is SCKBSMBFCJJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-3-26-17-10-8-16(9-11-17)14-21(25)24-13-12-23(2)20(15-24)18-6-4-5-7-19(18)22/h4-11,20H,3,12-15H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone has a molecular weight of 356.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 110293051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).