[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

C20H25F3N2O2 — CID 137436694

IUPAC[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)15-3-1-14(2-4-15)17-13-18(17)19(26)25-9-7-24(8-10-25)16-5-11-27-12-6-16/h1-4,16-18H,5-13H2/t17-,18?/m0/s1
InChIKeyVQPROJASGGINCZ-ZENAZSQFSA-N
MW382.43 g/mol
LogP3.13
Rot. Bonds3

About [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 137436694) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID137436694
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)15-3-1-14(2-4-15)17-13-18(17)19(26)25-9-7-24(8-10-25)16-5-11-27-12-6-16/h1-4,16-18H,5-13H2/t17-,18?/m0/s1
InChIKeyVQPROJASGGINCZ-ZENAZSQFSA-N
XLogP3.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclobutylpiperazin-1-yl)-[(1R,2R)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]methanone
CID 25196792
[(3S)-3-aminopyrrolidin-1-yl]-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698676
[(3S)-3-aminopyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124702790
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 130454988
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 78850288
(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
(2R)-1-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 125150918
3-[oxan-4-yl-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124702918
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 125146300
4-bromo-2-[4-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperazin-1-yl]benzonitrile
CID 130471040
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 95590084

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 137436694) is [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C(C1C[C@H]1c1ccc(C(F)(F)F)cc1)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is VQPROJASGGINCZ-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c21-20(22,23)15-3-1-14(2-4-15)17-13-18(17)19(26)25-9-7-24(8-10-25)16-5-11-27-12-6-16/h1-4,16-18H,5-13H2/t17-,18?/m0/s1.
What are the key properties of [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 382.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-yl)piperazin-1-yl]-[(2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 137436694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).