[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C30H26F4N2O2 — CID 10301707

IUPAC[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2cc(OCc3ccccc3F)ccc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C30H26F4N2O2/c31-28-4-2-1-3-25(28)20-38-27-12-9-22-17-24(8-7-23(22)18-27)29(37)36-15-13-35(14-16-36)19-21-5-10-26(11-6-21)30(32,33)34/h1-12,17-18H,13-16,19-20H2
InChIKeyXJXGJAYLEOYDDZ-UHFFFAOYSA-N
MW522.54 g/mol
LogP6.53
Rot. Bonds6

About [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 10301707) has the molecular formula C30H26F4N2O2 and a molecular weight of 522.54 g/mol. Its IUPAC name is [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID10301707
Molecular FormulaC30H26F4N2O2
Molecular Weight522.54 g/mol
Exact Mass522.19
IUPAC Name[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2cc(OCc3ccccc3F)ccc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C30H26F4N2O2/c31-28-4-2-1-3-25(28)20-38-27-12-9-22-17-24(8-7-23(22)18-27)29(37)36-15-13-35(14-16-36)19-21-5-10-26(11-6-21)30(32,33)34/h1-12,17-18H,13-16,19-20H2
InChIKeyXJXGJAYLEOYDDZ-UHFFFAOYSA-N
XLogP6.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.54
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
Fvxapsutpgihsl-uhfffaoysa-
CID 10740054
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
Mnbzohwpikxasf-uhfffaoysa-
CID 10593844
[(2S)-2-[2-(2,4-difluorophenoxy)ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 56683774
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)ethane-1,2-dione
CID 155526437
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
1-[4-(3-Methoxynaphthalene-2-carbonyl)piperazin-1-yl]ethan-1-one
CID 24251255
(3-Methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
Pdvlbqlzhgqwhf-uhfffaoysa-
CID 10831573
Udhzliwnsduwdk-uhfffaoysa-
CID 11793938

Frequently Asked Questions

What is the IUPAC name of [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 10301707) is [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1ccc2cc(OCc3ccccc3F)ccc2c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is XJXGJAYLEOYDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N2O2/c31-28-4-2-1-3-25(28)20-38-27-12-9-22-17-24(8-7-23(22)18-27)29(37)36-15-13-35(14-16-36)19-21-5-10-26(11-6-21)30(32,33)34/h1-12,17-18H,13-16,19-20H2.
What are the key properties of [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 522.54 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 10301707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).