N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C15H25F3N2O — CID 114908943

IUPACN-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC1(C)CCCC(NC(=O)C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C15H25F3N2O/c1-14(2)7-3-4-11(8-14)20-13(21)12-6-5-10(9-19-12)15(16,17)18/h10-12,19H,3-9H2,1-2H3,(H,20,21)
InChIKeyCIYJAPZLHWCRIK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908943) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908943
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC1(C)CCCC(NC(=O)C2CCC(C(F)(F)F)CN2)C1
InChIInChI=1S/C15H25F3N2O/c1-14(2)7-3-4-11(8-14)20-13(21)12-6-5-10(9-19-12)15(16,17)18/h10-12,19H,3-9H2,1-2H3,(H,20,21)
InChIKeyCIYJAPZLHWCRIK-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908529
N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908781
N-(1,1-dioxothian-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908870
(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908900
N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908719
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
N-(1-cyclohexylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908814
1-cyclopropyl-3-(3,3-dimethylcyclohexyl)urea
CID 116656967
(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 90063250
N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908961
methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908871

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908943) is N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CC1(C)CCCC(NC(=O)C2CCC(C(F)(F)F)CN2)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is CIYJAPZLHWCRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-14(2)7-3-4-11(8-14)20-13(21)12-6-5-10(9-19-12)15(16,17)18/h10-12,19H,3-9H2,1-2H3,(H,20,21).
What are the key properties of N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).