[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C23H25F3N2O3 — CID 39723479

IUPAC[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)17-5-3-6-18(15-17)27-10-12-28(13-11-27)22(29)20-8-1-2-9-21(20)31-16-19-7-4-14-30-19/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2/t19-/m1/s1
InChIKeyIXBINAOQVDFFSM-LJQANCHMSA-N
MW434.46 g/mol
LogP4.23
Rot. Bonds5

About [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 39723479) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID39723479
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)17-5-3-6-18(15-17)27-10-12-28(13-11-27)22(29)20-8-1-2-9-21(20)31-16-19-7-4-14-30-19/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2/t19-/m1/s1
InChIKeyIXBINAOQVDFFSM-LJQANCHMSA-N
XLogP4.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
[2-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl] acetate
CID 5018131
3-(oxolan-2-ylmethyl)-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121025497
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
3-[[N-[[(2S)-oxolan-2-yl]methyl]-C-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonimidoyl]amino]benzoic acid
CID 94081226
3-[[N-(oxolan-2-ylmethyl)-C-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonimidoyl]amino]benzoic acid
CID 50801072
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 39723479) is [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1ccccc1OC[C@H]1CCCO1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is IXBINAOQVDFFSM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c24-23(25,26)17-5-3-6-18(15-17)27-10-12-28(13-11-27)22(29)20-8-1-2-9-21(20)31-16-19-7-4-14-30-19/h1-3,5-6,8-9,15,19H,4,7,10-14,16H2/t19-/m1/s1.
What are the key properties of [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 434.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 39723479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).