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

C12H22F2N2O2 — CID 103206924

IUPAC3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide
SMILESCC1CCC(CNC(=O)CCOCC(F)F)CN1
InChIInChI=1S/C12H22F2N2O2/c1-9-2-3-10(6-15-9)7-16-12(17)4-5-18-8-11(13)14/h9-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyIMZYNXHYDQBXHU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.16
Rot. Bonds7

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

3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide (PubChem CID 103206924) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide
PubChem CID103206924
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide
SMILESCC1CCC(CNC(=O)CCOCC(F)F)CN1
InChIInChI=1S/C12H22F2N2O2/c1-9-2-3-10(6-15-9)7-16-12(17)4-5-18-8-11(13)14/h9-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyIMZYNXHYDQBXHU-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-difluoroethoxy)-N-(6-methylpiperidin-3-yl)propanamide
CID 103206939
2-methoxy-N-[(6-methylpiperidin-3-yl)methyl]acetamide
CID 63007616
N-[(6-methylpiperidin-3-yl)methyl]propanamide
CID 63007436
2-[[3-(2,2-difluoroethoxy)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103206084
3-(2,2-difluoroethoxy)-N-(5-methylpiperidin-3-yl)propanamide
CID 107585066
3-(2,2-difluoroethoxy)-N-prop-2-ynylpropanamide
CID 103211866
2,2-dimethyl-N-[(6-methylpiperidin-3-yl)methyl]butanamide
CID 63009400
N-(2-chloro-3-methoxypropyl)-3-(2,2-difluoroethoxy)propanamide
CID 103212347
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-bromo-3-[3-(2,2-difluoroethoxy)propanoylamino]propanoate
CID 103492443
3-(2,2-difluoroethoxy)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 103209084
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide (CID 103206924) is 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide is CC1CCC(CNC(=O)CCOCC(F)F)CN1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide?
The InChIKey is IMZYNXHYDQBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-9-2-3-10(6-15-9)7-16-12(17)4-5-18-8-11(13)14/h9-11,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[(6-methylpiperidin-3-yl)methyl]propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.16, 7 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)methyl]propanamide is sourced from PubChem (CID 103206924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).