3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide

C12H22F2N2O2 — CID 103206367

IUPAC3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
SMILESCCN(C(=O)CCOCC(F)F)C1CCCNC1
InChIInChI=1S/C12H22F2N2O2/c1-2-16(10-4-3-6-15-8-10)12(17)5-7-18-9-11(13)14/h10-11,15H,2-9H2,1H3
InChIKeyPLCDCTBTWBFICG-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.26
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide

3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide (PubChem CID 103206367) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
PubChem CID103206367
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide
SMILESCCN(C(=O)CCOCC(F)F)C1CCCNC1
InChIInChI=1S/C12H22F2N2O2/c1-2-16(10-4-3-6-15-8-10)12(17)5-7-18-9-11(13)14/h10-11,15H,2-9H2,1H3
InChIKeyPLCDCTBTWBFICG-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.26
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-piperidin-3-yl-N-propylpropanamide
CID 103206370
N-ethyl-3-phenoxy-N-piperidin-3-ylpropanamide
CID 60807230
3-(2,2-difluoroethoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 103209354
2-methylpropyl N-ethyl-N-[(3R)-piperidin-3-yl]carbamate
CID 162725358
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 103209647
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103208450
3-(2,2-difluoroethoxy)-N-ethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106626231
N-ethyl-2-methylsulfanyl-N-piperidin-3-ylacetamide
CID 63637616
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
tert-butyl N-(2,2-difluoroethyl)-N-piperidin-3-ylcarbamate
CID 84711204
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide (CID 103206367) is 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide is CCN(C(=O)CCOCC(F)F)C1CCCNC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide?
The InChIKey is PLCDCTBTWBFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-2-16(10-4-3-6-15-8-10)12(17)5-7-18-9-11(13)14/h10-11,15H,2-9H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide?
3-(2,2-difluoroethoxy)-N-ethyl-N-piperidin-3-ylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.26, 7 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-ethyl-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 103206367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).