N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H25F3N2O — CID 104622061

IUPACN-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCCNC1CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H25F3N2O/c1-10-5-4-8-19-13(10)9-20-14(21)11-6-2-3-7-12(11)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21)
InChIKeyBVCMVEXGPQFPJZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.86
Rot. Bonds3

About N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104622061) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104622061
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCCNC1CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H25F3N2O/c1-10-5-4-8-19-13(10)9-20-14(21)11-6-2-3-7-12(11)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21)
InChIKeyBVCMVEXGPQFPJZ-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114955797
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
tert-butyl N-[[(2R,3S)-3-(trifluoromethyl)piperidin-2-yl]methyl]carbamate
CID 154442495
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylcyclopentane-1-carboxamide
CID 107176843
1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79154184
1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79161560
1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
CID 63304890
N-(3-bromo-2,2-dimethylpropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622805

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104622061) is N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC1CCCNC1CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is BVCMVEXGPQFPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-10-5-4-8-19-13(10)9-20-14(21)11-6-2-3-7-12(11)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21).
What are the key properties of N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104622061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).