3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide

C11H20F2N2O2 — CID 103206939

IUPAC3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
SMILESCC1CCC(NC(=O)CCOCC(F)F)CN1
InChIInChI=1S/C11H20F2N2O2/c1-8-2-3-9(6-14-8)15-11(16)4-5-17-7-10(12)13/h8-10,14H,2-7H2,1H3,(H,15,16)
InChIKeyWGIOJHALNDYNML-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.91
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide

3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide (PubChem CID 103206939) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
PubChem CID103206939
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
SMILESCC1CCC(NC(=O)CCOCC(F)F)CN1
InChIInChI=1S/C11H20F2N2O2/c1-8-2-3-9(6-14-8)15-11(16)4-5-17-7-10(12)13/h8-10,14H,2-7H2,1H3,(H,15,16)
InChIKeyWGIOJHALNDYNML-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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-(5-methylpiperidin-3-yl)propanamide
CID 107585066
3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 103206924
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
3,3,3-trifluoro-N-(6-methylpiperidin-3-yl)-2-(trifluoromethyl)propanamide
CID 103309477
3-(2,2-difluoroethoxy)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103525061
2-[3-(2,2-difluoroethoxy)propanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 103206218
N-[2-(bromomethyl)cyclopentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106366258
N-[2-(bromomethyl)cyclohexyl]-3-(2,2-difluoroethoxy)propanamide
CID 106367115
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208332
N-(2-carbamothioylcyclopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208406
3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide
CID 103206903
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide (CID 103206939) is 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide is CC1CCC(NC(=O)CCOCC(F)F)CN1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide?
The InChIKey is WGIOJHALNDYNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8-2-3-9(6-14-8)15-11(16)4-5-17-7-10(12)13/h8-10,14H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide?
3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide has a molecular weight of 250.29 g/mol, XLogP of 0.91, 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-(6-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 103206939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).