1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C15H22F6N2O — CID 167064650

IUPAC1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC1C(F)(F)F
InChIInChI=1S/C15H22F6N2O/c1-23-7-6-9(8-12(23)15(19,20)21)13(24)22-11-4-2-10(3-5-11)14(16,17)18/h9-12H,2-8H2,1H3,(H,22,24)
InChIKeyFNANAJFTLYUKDR-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.50
Rot. Bonds2

About 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 167064650) has the molecular formula C15H22F6N2O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID167064650
Molecular FormulaC15H22F6N2O
Molecular Weight360.34 g/mol
Exact Mass360.16
IUPAC Name1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC1C(F)(F)F
InChIInChI=1S/C15H22F6N2O/c1-23-7-6-9(8-12(23)15(19,20)21)13(24)22-11-4-2-10(3-5-11)14(16,17)18/h9-12H,2-8H2,1H3,(H,22,24)
InChIKeyFNANAJFTLYUKDR-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 167064650) is 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is FNANAJFTLYUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6N2O/c1-23-7-6-9(8-12(23)15(19,20)21)13(24)22-11-4-2-10(3-5-11)14(16,17)18/h9-12H,2-8H2,1H3,(H,22,24).
What are the key properties of 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 360.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 167064650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).