2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

C24H27F3N2O2 — CID 133261944

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc2c1CCCC2)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H27F3N2O2/c1-17(31-22-11-4-7-18-6-2-3-10-21(18)22)23(30)29-14-12-28(13-15-29)20-9-5-8-19(16-20)24(25,26)27/h4-5,7-9,11,16-17H,2-3,6,10,12-15H2,1H3
InChIKeyQOKRCCQHVLZAQZ-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.70
Rot. Bonds4

About 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one

2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (PubChem CID 133261944) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
PubChem CID133261944
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
SMILESCC(Oc1cccc2c1CCCC2)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H27F3N2O2/c1-17(31-22-11-4-7-18-6-2-3-10-21(18)22)23(30)29-14-12-28(13-15-29)20-9-5-8-19(16-20)24(25,26)27/h4-5,7-9,11,16-17H,2-3,6,10,12-15H2,1H3
InChIKeyQOKRCCQHVLZAQZ-UHFFFAOYSA-N
XLogP4.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one 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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133200332
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 133184610
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 100768275
(2S)-2-amino-4-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentan-1-one
CID 118427533
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 38010558
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
[(2S)-3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-2-yl]urea
CID 51968388
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100711289
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
CID 40696539
4-methyl-N-[3-methyl-1-oxo-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-2-yl]benzamide
CID 74292426
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 99953653

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one (CID 133261944) is 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is CC(Oc1cccc2c1CCCC2)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
The InChIKey is QOKRCCQHVLZAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c1-17(31-22-11-4-7-18-6-2-3-10-21(18)22)23(30)29-14-12-28(13-15-29)20-9-5-8-19(16-20)24(25,26)27/h4-5,7-9,11,16-17H,2-3,6,10,12-15H2,1H3.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one?
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one has a molecular weight of 432.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 133261944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).