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

C14H23F3N2O — CID 163294659

IUPAC1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2O/c1-19-8-6-10(7-9-19)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyNJTMNJBPXNLCLK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds2

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

1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 163294659) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID163294659
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2O/c1-19-8-6-10(7-9-19)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20)
InChIKeyNJTMNJBPXNLCLK-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 163294659) is 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CN1CCC(C(=O)NC2CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is NJTMNJBPXNLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-19-8-6-10(7-9-19)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h10-12H,2-9H2,1H3,(H,18,20).
What are the key properties of 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 163294659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).