3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide

C13H24F2N2O2 — CID 103206908

IUPAC3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide
SMILESCN(CCC1CCNCC1)C(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-17(8-4-11-2-6-16-7-3-11)13(18)5-9-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyPQXDXMLTECJTJP-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.51
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide

3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide (PubChem CID 103206908) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide
PubChem CID103206908
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide
SMILESCN(CCC1CCNCC1)C(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-17(8-4-11-2-6-16-7-3-11)13(18)5-9-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyPQXDXMLTECJTJP-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 103209647
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]acetic acid
CID 103205785
methyl 4-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoate
CID 103209822
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 107206665
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
CID 103206367
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
N-(2-ethoxyethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 81058333
N-(2-cyclopentylethyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160413

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide (CID 103206908) is 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide is CN(CCC1CCNCC1)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide?
The InChIKey is PQXDXMLTECJTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-17(8-4-11-2-6-16-7-3-11)13(18)5-9-19-10-12(14)15/h11-12,16H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide?
3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide has a molecular weight of 278.34 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide is sourced from PubChem (CID 103206908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).