3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide

C11H20F2N2O2 — CID 103209354

IUPAC3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCOCC(F)F)C1CCNCC1
InChIInChI=1S/C11H20F2N2O2/c1-15(9-2-5-14-6-3-9)11(16)4-7-17-8-10(12)13/h9-10,14H,2-8H2,1H3
InChIKeyJQVJYTBXVQAKIU-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.87
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide

3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide (PubChem CID 103209354) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
PubChem CID103209354
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
SMILESCN(C(=O)CCOCC(F)F)C1CCNCC1
InChIInChI=1S/C11H20F2N2O2/c1-15(9-2-5-14-6-3-9)11(16)4-7-17-8-10(12)13/h9-10,14H,2-8H2,1H3
InChIKeyJQVJYTBXVQAKIU-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.87
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-methyl-N-(2-piperidin-4-ylethyl)propanamide
CID 103206908
N-(azepan-4-yl)-N-methyl-3-propoxypropanamide
CID 107172545
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 103209647
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
N-methyl-3-(oxolan-2-ylmethoxy)-N-piperidin-4-ylpropanamide
CID 119441358
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
CID 103206367
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
3-(2,2-difluoroethoxy)-N-piperidin-3-yl-N-propylpropanamide
CID 103206370
2-[cyclopropyl-[3-(2,2-difluoroethoxy)propanoyl]amino]propanoic acid
CID 122067557
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
N-(azepan-4-yl)-4-methoxy-N-methylbutanamide
CID 104974697
N-methyl-3-methylsulfonyl-N-piperidin-4-ylpropanamide
CID 61003895

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide (CID 103209354) is 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide is CN(C(=O)CCOCC(F)F)C1CCNCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is JQVJYTBXVQAKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-15(9-2-5-14-6-3-9)11(16)4-7-17-8-10(12)13/h9-10,14H,2-8H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide?
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 250.29 g/mol, XLogP of 0.87, 6 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-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 103209354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).