2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide

C10H15F5N2O — CID 114038062

IUPAC2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCN(CC1CCCNC1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5N2O/c1-17(6-7-3-2-4-16-5-7)8(18)9(11,12)10(13,14)15/h7,16H,2-6H2,1H3
InChIKeyDBEJYBDTJDZHBJ-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.64
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide

2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide (PubChem CID 114038062) has the molecular formula C10H15F5N2O and a molecular weight of 274.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
PubChem CID114038062
Molecular FormulaC10H15F5N2O
Molecular Weight274.23 g/mol
Exact Mass274.11
IUPAC Name2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide
SMILESCN(CC1CCCNC1)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5N2O/c1-17(6-7-3-2-4-16-5-7)8(18)9(11,12)10(13,14)15/h7,16H,2-6H2,1H3
InChIKeyDBEJYBDTJDZHBJ-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106627739
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
(Z)-N,2-dimethyl-N-(piperidin-3-ylmethyl)pent-2-enamide
CID 106627593
N-methyl-3-methylsulfanyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628049
2-acetamido-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628048
2,2-difluoro-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 84674393
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
N-methyl-N-(piperidin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 106627975
N-methyl-N-(piperidin-3-ylmethyl)decanamide
CID 106627816
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
N-methyl-N-(piperidin-3-ylmethyl)oxane-2-carboxamide
CID 106627771
N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiane-2-carboxamide
CID 106627867

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide (CID 114038062) is 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide is CN(CC1CCCNC1)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide?
The InChIKey is DBEJYBDTJDZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5N2O/c1-17(6-7-3-2-4-16-5-7)8(18)9(11,12)10(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide?
2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide has a molecular weight of 274.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-methyl-N-(piperidin-3-ylmethyl)propanamide is sourced from PubChem (CID 114038062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).