3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide

C12H22F2N2O2 — CID 103206903

IUPAC3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCOCC(F)F)C1CCCCN1
InChIInChI=1S/C12H22F2N2O2/c1-9(10-4-2-3-6-15-10)16-12(17)5-7-18-8-11(13)14/h9-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyUJVJDEIOXAOUFE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.30
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide

3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide (PubChem CID 103206903) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide
PubChem CID103206903
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide
SMILESCC(NC(=O)CCOCC(F)F)C1CCCCN1
InChIInChI=1S/C12H22F2N2O2/c1-9(10-4-2-3-6-15-10)16-12(17)5-7-18-8-11(13)14/h9-11,15H,2-8H2,1H3,(H,16,17)
InChIKeyUJVJDEIOXAOUFE-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

2-methyl-N-(1-piperidin-2-ylethyl)butanamide
CID 43523371
2-[3-(2,2-difluoroethoxy)propanoylamino]propanoic acid
CID 103205780
N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208226
N-(1-bromopropan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103212483
N-(1-piperidin-2-ylethyl)piperidine-1-carboxamide
CID 79155536
5-methyl-N-(1-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81331038
N-(4-aminobutan-2-yl)-3-(2,2-difluoroethoxy)propanamide
CID 103205439
4-[3-(2,2-difluoroethoxy)propanoylamino]pentanoic acid
CID 103206025
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626231
N-[1-(4-aminophenyl)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205523
1-(2,2-difluoroethoxy)-4-methylpentan-3-one
CID 103147305

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide (CID 103206903) is 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide is CC(NC(=O)CCOCC(F)F)C1CCCCN1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide?
The InChIKey is UJVJDEIOXAOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-9(10-4-2-3-6-15-10)16-12(17)5-7-18-8-11(13)14/h9-11,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide?
3-(2,2-difluoroethoxy)-N-(1-piperidin-2-ylethyl)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.30, 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-(1-piperidin-2-ylethyl)propanamide is sourced from PubChem (CID 103206903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).