N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O — CID 114696233

IUPACN-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCNCC1
InChIInChI=1S/C14H23F3N2O/c1-13(5-7-18-8-6-13)19-12(20)10-3-2-4-11(9-10)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,20)
InChIKeyIQHMHXXDZXMULA-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.61
Rot. Bonds2

About N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114696233) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114696233
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC NameN-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCNCC1
InChIInChI=1S/C14H23F3N2O/c1-13(5-7-18-8-6-13)19-12(20)10-3-2-4-11(9-10)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,20)
InChIKeyIQHMHXXDZXMULA-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylpiperidin-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696561
N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119566758
N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104826195
N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107585035
5-methyl-N-(4-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 114826489
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701111
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81470117

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114696233) is N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC1(NC(=O)C2CCCC(C(F)(F)F)C2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is IQHMHXXDZXMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-13(5-7-18-8-6-13)19-12(20)10-3-2-4-11(9-10)14(15,16)17/h10-11,18H,2-9H2,1H3,(H,19,20).
What are the key properties of N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114696233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).