[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone

C19H21FN2O2 — CID 752975

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O2/c1-2-24-18-9-4-3-8-17(18)21-10-12-22(13-11-21)19(23)15-6-5-7-16(20)14-15/h3-9,14H,2,10-13H2,1H3
InChIKeyGKPDKHCSWFODGS-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.19
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 752975) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID752975
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O2/c1-2-24-18-9-4-3-8-17(18)21-10-12-22(13-11-21)19(23)15-6-5-7-16(20)14-15/h3-9,14H,2,10-13H2,1H3
InChIKeyGKPDKHCSWFODGS-UHFFFAOYSA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)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-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110802331
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080739
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9415328
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]benzonitrile
CID 9415484
[4-(2-ethoxyphenyl)piperazin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7922217
(3-ethoxyphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 17249640
[4-(2-ethoxyphenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 35514584

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone (CID 752975) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is GKPDKHCSWFODGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-24-18-9-4-3-8-17(18)21-10-12-22(13-11-21)19(23)15-6-5-7-16(20)14-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 328.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 752975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).