N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide

C16H20F2N2O4 — CID 167988828

IUPACN-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)NCCc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H20F2N2O4/c17-16(18)23-13-2-1-11(9-14(13)24-16)3-8-20-15(21)10-22-12-4-6-19-7-5-12/h1-2,9,12,19H,3-8,10H2,(H,20,21)
InChIKeyQDUXJADVBZGZHA-UHFFFAOYSA-N
MW342.34 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide

N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide (PubChem CID 167988828) has the molecular formula C16H20F2N2O4 and a molecular weight of 342.34 g/mol. Its IUPAC name is N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide
PubChem CID167988828
Molecular FormulaC16H20F2N2O4
Molecular Weight342.34 g/mol
Exact Mass342.14
IUPAC NameN-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)NCCc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H20F2N2O4/c17-16(18)23-13-2-1-11(9-14(13)24-16)3-8-20-15(21)10-22-12-4-6-19-7-5-12/h1-2,9,12,19H,3-8,10H2,(H,20,21)
InChIKeyQDUXJADVBZGZHA-UHFFFAOYSA-N
XLogP1.44
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-2-piperidin-4-yloxyacetamide
CID 63877044
2-piperidin-4-yloxy-N-(2-pyridin-3-ylethyl)acetamide
CID 55252246
N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]prop-2-enamide
CID 139021208
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 80682195
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
N-[2-(cyclopenten-1-yl)ethyl]-2-piperidin-4-yloxyacetamide
CID 106175166
N-[2-(3-methylphenyl)ethyl]-3-piperidin-4-yloxypropanamide
CID 63903931
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
2-piperidin-4-yloxy-N-(4-propylphenyl)acetamide
CID 63877579
N-[(2-methoxy-4-pyridinyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875211
N-[(5-bromo-2-fluorophenyl)methyl]-2-piperidin-4-yloxyacetamide
CID 63875885

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide (CID 167988828) is N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide is O=C(COC1CCNCC1)NCCc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide?
The InChIKey is QDUXJADVBZGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O4/c17-16(18)23-13-2-1-11(9-14(13)24-16)3-8-20-15(21)10-22-12-4-6-19-7-5-12/h1-2,9,12,19H,3-8,10H2,(H,20,21).
What are the key properties of N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide?
N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide has a molecular weight of 342.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 167988828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).