1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C19H22F3N3O — CID 133402580

IUPAC1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCc1cc(N2CCCC(C(=O)NCC(F)(F)F)C2)c2ccccc2n1
InChIInChI=1S/C19H22F3N3O/c1-2-14-10-17(15-7-3-4-8-16(15)24-14)25-9-5-6-13(11-25)18(26)23-12-19(20,21)22/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H,23,26)
InChIKeyWTOCUGZNVUTQBI-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.69
Rot. Bonds4

About 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 133402580) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID133402580
Molecular FormulaC19H22F3N3O
Molecular Weight365.40 g/mol
Exact Mass365.17
IUPAC Name1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCc1cc(N2CCCC(C(=O)NCC(F)(F)F)C2)c2ccccc2n1
InChIInChI=1S/C19H22F3N3O/c1-2-14-10-17(15-7-3-4-8-16(15)24-14)25-9-5-6-13(11-25)18(26)23-12-19(20,21)22/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H,23,26)
InChIKeyWTOCUGZNVUTQBI-UHFFFAOYSA-N
XLogP3.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
CID 133405148
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 46106509
2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
CID 133401512
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
1-(3-fluoro-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326877
(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 133402580) is 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCc1cc(N2CCCC(C(=O)NCC(F)(F)F)C2)c2ccccc2n1.
What is the InChIKey of 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is WTOCUGZNVUTQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-2-14-10-17(15-7-3-4-8-16(15)24-14)25-9-5-6-13(11-25)18(26)23-12-19(20,21)22/h3-4,7-8,10,13H,2,5-6,9,11-12H2,1H3,(H,23,26).
What are the key properties of 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 133402580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).