N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H23F3N2O — CID 114908781

IUPACN-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC1(NC(=O)C2CCC(C(F)(F)F)CN2)CCCCC1
InChIInChI=1S/C14H23F3N2O/c1-13(7-3-2-4-8-13)19-12(20)11-6-5-10(9-18-11)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,20)
InChIKeyBQTJLFFYYGCYDM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.76
Rot. Bonds2

About N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908781) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908781
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC NameN-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCC1(NC(=O)C2CCC(C(F)(F)F)CN2)CCCCC1
InChIInChI=1S/C14H23F3N2O/c1-13(7-3-2-4-8-13)19-12(20)11-6-5-10(9-18-11)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,20)
InChIKeyBQTJLFFYYGCYDM-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908814
N-(3,3-dimethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908943
N-cyclooctyl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908529
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908898
N-piperidin-1-yl-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908961
N-(5-methylhexan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908871
N-(1,1-dioxothian-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908870
methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
N-(2-ethylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908719
(4,4-dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908900
2,2-dimethyl-1-[5-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176833678
N-(4-methylpiperidin-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696561

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908781) is N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is CC1(NC(=O)C2CCC(C(F)(F)F)CN2)CCCCC1.
What is the InChIKey of N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is BQTJLFFYYGCYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-13(7-3-2-4-8-13)19-12(20)11-6-5-10(9-18-11)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,20).
What are the key properties of N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).