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

C15H25F3N2O — CID 167064455

IUPAC1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C
InChIInChI=1S/C15H25F3N2O/c1-10-9-11(7-8-20(10)2)14(21)19-13-5-3-12(4-6-13)15(16,17)18/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyDWAGBUYBQZFWFQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.95
Rot. Bonds2

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

1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 167064455) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID167064455
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C
InChIInChI=1S/C15H25F3N2O/c1-10-9-11(7-8-20(10)2)14(21)19-13-5-3-12(4-6-13)15(16,17)18/h10-13H,3-9H2,1-2H3,(H,19,21)
InChIKeyDWAGBUYBQZFWFQ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 167064455) is 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is CC1CC(C(=O)NC2CCC(C(F)(F)F)CC2)CCN1C.
What is the InChIKey of 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is DWAGBUYBQZFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-10-9-11(7-8-20(10)2)14(21)19-13-5-3-12(4-6-13)15(16,17)18/h10-13H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 167064455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).