3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide

C13H24F2N2O2 — CID 103209647

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCCN(CC1CCNCC1)C(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-2-17(9-11-3-6-16-7-4-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyYTKMYLNFTOIQSX-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.51
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide

3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 103209647) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
PubChem CID103209647
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCCN(CC1CCNCC1)C(=O)CCOCC(F)F
InChIInChI=1S/C13H24F2N2O2/c1-2-17(9-11-3-6-16-7-4-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyYTKMYLNFTOIQSX-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-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626231
3-(2,2-difluoroethoxy)-N-methyl-N-(2-piperidin-4-ylethyl)propanamide
CID 103206908
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 79720897
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
3-cyclohexyl-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 79720313
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
CID 103206367
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
2-acetamido-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79721132
N-ethyl-3-methoxy-N-(piperidin-3-ylmethyl)propanamide
CID 106629400
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide (CID 103209647) is 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide is CCN(CC1CCNCC1)C(=O)CCOCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is YTKMYLNFTOIQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-2-17(9-11-3-6-16-7-4-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide?
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)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-ethyl-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 103209647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).