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

C20H22F3N3O — CID 109175655

IUPAC(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O/c1-2-15-7-5-6-12-26(15)19(27)14-10-11-24-18(13-14)25-17-9-4-3-8-16(17)20(21,22)23/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,24,25)
InChIKeyIPFUSGHOYHCOHL-UHFFFAOYSA-N
MW377.41 g/mol
LogP5.25
Rot. Bonds4

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

(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone (PubChem CID 109175655) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
PubChem CID109175655
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O/c1-2-15-7-5-6-12-26(15)19(27)14-10-11-24-18(13-14)25-17-9-4-3-8-16(17)20(21,22)23/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,24,25)
InChIKeyIPFUSGHOYHCOHL-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175669
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 109264180
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
[2-(3-chloro-4-fluoroanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175643
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427
6-(2-ethylpiperidin-1-yl)-2-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112876497
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
(2-ethylpiperidin-1-yl)-[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109173607
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
(2-ethylpiperidin-1-yl)-[6-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109354973

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone (CID 109175655) is (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone is CCC1CCCCN1C(=O)c1ccnc(Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
The InChIKey is IPFUSGHOYHCOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-2-15-7-5-6-12-26(15)19(27)14-10-11-24-18(13-14)25-17-9-4-3-8-16(17)20(21,22)23/h3-4,8-11,13,15H,2,5-7,12H2,1H3,(H,24,25).
What are the key properties of (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone has a molecular weight of 377.41 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone is sourced from PubChem (CID 109175655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).