N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide

C17H20F6N2O — CID 145326526

IUPACN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide
SMILESCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C1CCNCC1
InChIInChI=1S/C17H20F6N2O/c1-10(25(2)15(26)11-3-5-24-6-4-11)12-7-13(16(18,19)20)9-14(8-12)17(21,22)23/h7-11,24H,3-6H2,1-2H3
InChIKeyFCSFPCSDFXCYCD-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.24
Rot. Bonds3

About N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide

N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 145326526) has the molecular formula C17H20F6N2O and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide
PubChem CID145326526
Molecular FormulaC17H20F6N2O
Molecular Weight382.35 g/mol
Exact Mass382.15
IUPAC NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide
SMILESCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C1CCNCC1
InChIInChI=1S/C17H20F6N2O/c1-10(25(2)15(26)11-3-5-24-6-4-11)12-7-13(16(18,19)20)9-14(8-12)17(21,22)23/h7-11,24H,3-6H2,1-2H3
InChIKeyFCSFPCSDFXCYCD-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119275393
(3S,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 86624554
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-1-carboxamide
CID 89088714
N-methyl-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 63005298
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-(4-phenylpiperidin-4-yl)acetamide
CID 87666594
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-4-yl)-N-methylpropanamide
CID 87881125
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(4-fluorophenyl)piperidin-4-yl]-N-methylacetamide
CID 87665080
N-methyl-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 54873202
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 87733801
N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 87620068

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide (CID 145326526) is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide is CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(C)C(=O)C1CCNCC1.
What is the InChIKey of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is FCSFPCSDFXCYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2O/c1-10(25(2)15(26)11-3-5-24-6-4-11)12-7-13(16(18,19)20)9-14(8-12)17(21,22)23/h7-11,24H,3-6H2,1-2H3.
What are the key properties of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide?
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 382.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 145326526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).