2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone

C25H24F3NO4 — CID 134042210

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)C2CC2c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C25H24F3NO4/c26-25(27,28)20-4-2-1-3-17(20)18-14-19(18)24(31)29-9-7-15(8-10-29)23(30)16-5-6-21-22(13-16)33-12-11-32-21/h1-6,13,15,18-19H,7-12,14H2
InChIKeyLGBVTANFVLGFQS-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.70
Rot. Bonds4

About 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone (PubChem CID 134042210) has the molecular formula C25H24F3NO4 and a molecular weight of 459.46 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone
PubChem CID134042210
Molecular FormulaC25H24F3NO4
Molecular Weight459.46 g/mol
Exact Mass459.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)C2CC2c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C25H24F3NO4/c26-25(27,28)20-4-2-1-3-17(20)18-14-19(18)24(31)29-9-7-15(8-10-29)23(30)16-5-6-21-22(13-16)33-12-11-32-21/h1-6,13,15,18-19H,7-12,14H2
InChIKeyLGBVTANFVLGFQS-UHFFFAOYSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 43815916
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(9H-fluoren-9-yl)piperidin-4-yl]methanone
CID 52679341
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86914418
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166419
2-[methyl-[(4R)-1-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]amino]acetic acid
CID 129429825
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119250918
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]methanone
CID 33368738
(4-benzylpiperazin-1-yl)-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97262774
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 25474147

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone (CID 134042210) is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone is O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)C2CC2c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone?
The InChIKey is LGBVTANFVLGFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO4/c26-25(27,28)20-4-2-1-3-17(20)18-14-19(18)24(31)29-9-7-15(8-10-29)23(30)16-5-6-21-22(13-16)33-12-11-32-21/h1-6,13,15,18-19H,7-12,14H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone has a molecular weight of 459.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134042210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).