3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide

C13H24F2N2O2 — CID 103206370

IUPAC3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCOCC(F)F)C1CCCNC1
InChIInChI=1S/C13H24F2N2O2/c1-2-7-17(11-4-3-6-16-9-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyAEHIKKIDXBNMHU-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.65
Rot. Bonds8

About 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide

3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide (PubChem CID 103206370) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
PubChem CID103206370
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCOCC(F)F)C1CCCNC1
InChIInChI=1S/C13H24F2N2O2/c1-2-7-17(11-4-3-6-16-9-11)13(18)5-8-19-10-12(14)15/h11-12,16H,2-10H2,1H3
InChIKeyAEHIKKIDXBNMHU-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-3-ylpropanamide
CID 103206367
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806546
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
CID 122080444
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide (CID 103206370) is 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide is CCCN(C(=O)CCOCC(F)F)C1CCCNC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide?
The InChIKey is AEHIKKIDXBNMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-2-7-17(11-4-3-6-16-9-11)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-piperidin-3-yl-N-propylpropanamide?
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide has a molecular weight of 278.34 g/mol, XLogP of 1.65, 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-piperidin-3-yl-N-propylpropanamide is sourced from PubChem (CID 103206370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).