N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C15H25F3N2O — CID 114955797

IUPACN-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCNCC1CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H25F3N2O/c1-10-6-7-19-8-11(10)9-20-14(21)12-4-2-3-5-13(12)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21)
InChIKeyFUYBKZYTNDCBKT-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.72
Rot. Bonds3

About N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114955797) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114955797
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC1CCNCC1CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H25F3N2O/c1-10-6-7-19-8-11(10)9-20-14(21)12-4-2-3-5-13(12)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21)
InChIKeyFUYBKZYTNDCBKT-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylpiperidin-2-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622061
N-[(2-aminocyclopentyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737026
N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115736893
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 114955817
2-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955699
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
1,1,1-trifluoro-3-(4-methylpiperidin-3-yl)propan-2-one
CID 147887564
tert-butyl N-[[(3S,4S)-4-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125424383
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112701336
N-[(2-hydroxycyclohexyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 64912863
N-(3-bromo-2,2-dimethylpropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622805

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114955797) is N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC1CCNCC1CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is FUYBKZYTNDCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-10-6-7-19-8-11(10)9-20-14(21)12-4-2-3-5-13(12)15(16,17)18/h10-13,19H,2-9H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114955797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).