N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H19F3N2O2 — CID 103206930

IUPACN-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1NCCCC1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8-9(3-2-5-15-8)16-10(17)4-6-18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyIHNOMZZHRNTXOA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103206930) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103206930
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1NCCCC1NC(=O)CCOCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8-9(3-2-5-15-8)16-10(17)4-6-18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeyIHNOMZZHRNTXOA-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 120574103
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 120574102
3,3-dimethyl-N-(2-methylpiperidin-3-yl)butanamide
CID 79042098
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
CID 120575305
N-(2-methylpiperidin-3-yl)hex-5-enamide
CID 120576314
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103805909
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 103206930) is N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CC1NCCCC1NC(=O)CCOCC(F)(F)F.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is IHNOMZZHRNTXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8-9(3-2-5-15-8)16-10(17)4-6-18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103206930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).