N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide

C11H19F3N2O — CID 114083886

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCC1(C)CCCNC1CNC(=O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-10(2)4-3-5-15-8(10)7-16-9(17)6-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyZCYQVZAZAHZFKL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.83
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide (PubChem CID 114083886) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
PubChem CID114083886
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
SMILESCC1(C)CCCNC1CNC(=O)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-10(2)4-3-5-15-8(10)7-16-9(17)6-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17)
InChIKeyZCYQVZAZAHZFKL-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
CID 114083921
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
CID 114083895
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120671037
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide;hydrochloride
CID 120670962
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
2-(3,3-dimethylpiperidin-2-yl)acetic acid
CID 10631009
4-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluorobenzamide;hydrochloride
CID 120670694

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide (CID 114083886) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide is CC1(C)CCCNC1CNC(=O)CC(F)(F)F.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide?
The InChIKey is ZCYQVZAZAHZFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-10(2)4-3-5-15-8(10)7-16-9(17)6-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide has a molecular weight of 252.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 114083886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).