3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide

C11H20F2N2O2 — CID 107585066

IUPAC3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide
SMILESCC1CNCC(NC(=O)CCOCC(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-8-4-9(6-14-5-8)15-11(16)2-3-17-7-10(12)13/h8-10,14H,2-7H2,1H3,(H,15,16)
InChIKeyCOECOZCVRBGILA-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.77
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide

3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide (PubChem CID 107585066) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide
PubChem CID107585066
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide
SMILESCC1CNCC(NC(=O)CCOCC(F)F)C1
InChIInChI=1S/C11H20F2N2O2/c1-8-4-9(6-14-5-8)15-11(16)2-3-17-7-10(12)13/h8-10,14H,2-7H2,1H3,(H,15,16)
InChIKeyCOECOZCVRBGILA-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.77
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

3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
CID 103206939
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
2-ethoxy-N-(5-methylpiperidin-3-yl)acetamide
CID 107585189
3,3,3-trifluoro-N-(5-methylpiperidin-3-yl)propanamide
CID 107585044
3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 103206924
2-methyl-N-(5-methylpiperidin-3-yl)propanamide
CID 107585162
N-(2-chloroprop-2-enyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208987
3-(2,2-difluoroethoxy)-1-[(2R)-2-methylpiperazin-1-yl]propan-1-one
CID 103209719
3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 103206343
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208332
2-(2-hydroxyphenyl)-N-(5-methylpiperidin-3-yl)acetamide
CID 107585059

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide (CID 107585066) is 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide is CC1CNCC(NC(=O)CCOCC(F)F)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide?
The InChIKey is COECOZCVRBGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8-4-9(6-14-5-8)15-11(16)2-3-17-7-10(12)13/h8-10,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide has a molecular weight of 250.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 107585066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).