(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

C20H22F3N3O2 — CID 55976721

IUPAC(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-2-28-16-8-11-26(12-9-16)19(27)17-7-4-10-24-18(17)25-15-6-3-5-14(13-15)20(21,22)23/h3-7,10,13,16H,2,8-9,11-12H2,1H3,(H,24,25)
InChIKeyWAZOUPAKYXVETE-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.49
Rot. Bonds5

About (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone

(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (PubChem CID 55976721) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
PubChem CID55976721
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H22F3N3O2/c1-2-28-16-8-11-26(12-9-16)19(27)17-7-4-10-24-18(17)25-15-6-3-5-14(13-15)20(21,22)23/h3-7,10,13,16H,2,8-9,11-12H2,1H3,(H,24,25)
InChIKeyWAZOUPAKYXVETE-UHFFFAOYSA-N
XLogP4.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
ethyl N-[1-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperidin-3-yl]carbamate
CID 55844206
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
2-[4-[2-[3-(trifluoromethyl)anilino]pyridine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55460419
[2-(3-fluoroanilino)-3-pyridinyl]-(4-phenoxypiperidin-1-yl)methanone
CID 86833930
[4-(4-nitrophenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 26199826
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 119450033
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 56509980

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone (CID 55976721) is (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is CCOC1CCN(C(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
The InChIKey is WAZOUPAKYXVETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-2-28-16-8-11-26(12-9-16)19(27)17-7-4-10-24-18(17)25-15-6-3-5-14(13-15)20(21,22)23/h3-7,10,13,16H,2,8-9,11-12H2,1H3,(H,24,25).
What are the key properties of (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone?
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone has a molecular weight of 393.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone is sourced from PubChem (CID 55976721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).