2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone

C14H17F3N2O2 — CID 95971278

IUPAC2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1
InChIInChI=1S/C14H17F3N2O2/c1-10-4-5-12(18-7-10)21-9-13(20)19-6-2-3-11(8-19)14(15,16)17/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyGJNFLKZMYUMGBW-LLVKDONJSA-N
MW302.30 g/mol
LogP2.57
Rot. Bonds3

About 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 95971278) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID95971278
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1
InChIInChI=1S/C14H17F3N2O2/c1-10-4-5-12(18-7-10)21-9-13(20)19-6-2-3-11(8-19)14(15,16)17/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyGJNFLKZMYUMGBW-LLVKDONJSA-N
XLogP2.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-3-nitro-2-pyridinyl)oxy]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 91644101
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86317858
tert-butyl (3R)-3-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97176758
1-ethyl-3-[6-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]-3-pyridinyl]urea
CID 53175086
3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 17493540
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
4,4,4-trifluoro-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 84600424
[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 4,5-dichloro-1-methylpyrrole-2-carboxylate
CID 97009572
[2-oxo-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl] 4,5-dichloro-1-methylpyrrole-2-carboxylate
CID 94874119

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 95971278) is 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1.
What is the InChIKey of 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is GJNFLKZMYUMGBW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10-4-5-12(18-7-10)21-9-13(20)19-6-2-3-11(8-19)14(15,16)17/h4-5,7,11H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 302.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-pyridinyl)oxy]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95971278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).