N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O — CID 107585035

IUPACN-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CNCC(NC(=O)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H23F3N2O/c1-9-5-12(8-18-7-9)19-13(20)10-3-2-4-11(6-10)14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20)
InChIKeyBZQMHWVOCNXOLY-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.47
Rot. Bonds2

About N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 107585035) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID107585035
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC NameN-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CNCC(NC(=O)C2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C14H23F3N2O/c1-9-5-12(8-18-7-9)19-13(20)10-3-2-4-11(6-10)14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20)
InChIKeyBZQMHWVOCNXOLY-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119426864
N-(4-methylpyrrolidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104826195
N-(5-methylpiperidin-3-yl)cyclopropanecarboxamide
CID 173311262
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106995136
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701141
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
N-(2-aminocyclopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81470117
2,2-dimethyl-N-(5-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 107585034
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 120946137

Frequently Asked Questions

What is the IUPAC name of N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 107585035) is N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC1CNCC(NC(=O)C2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BZQMHWVOCNXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-9-5-12(8-18-7-9)19-13(20)10-3-2-4-11(6-10)14(15,16)17/h9-12,18H,2-8H2,1H3,(H,19,20).
What are the key properties of N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107585035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).