[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone

C18H17F3N2O2 — CID 120733240

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C18H17F3N2O2/c1-25-16-5-3-2-4-12(16)15-10-22-6-7-23(15)18(24)11-8-13(19)17(21)14(20)9-11/h2-5,8-9,15,22H,6-7,10H2,1H3
InChIKeyZSLQAUUYJJVOIY-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.90
Rot. Bonds3

About [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone (PubChem CID 120733240) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
PubChem CID120733240
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C18H17F3N2O2/c1-25-16-5-3-2-4-12(16)15-10-22-6-7-23(15)18(24)11-8-13(19)17(21)14(20)9-11/h2-5,8-9,15,22H,6-7,10H2,1H3
InChIKeyZSLQAUUYJJVOIY-UHFFFAOYSA-N
XLogP2.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)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

[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735242
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(3-fluoro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735241
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
(4-bromo-2-fluorophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120735063
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
(3-chloro-5-nitrophenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733816
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone (CID 120733240) is [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone is COc1ccccc1C1CNCCN1C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone?
The InChIKey is ZSLQAUUYJJVOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-25-16-5-3-2-4-12(16)15-10-22-6-7-23(15)18(24)11-8-13(19)17(21)14(20)9-11/h2-5,8-9,15,22H,6-7,10H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone has a molecular weight of 350.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 120733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).