N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H22F2N2O3 — CID 49074437

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C17H22F2N2O3/c18-16(19)11-21-5-3-13(4-6-21)20-17(22)10-12-1-2-14-15(9-12)24-8-7-23-14/h1-2,9,13,16H,3-8,10-11H2,(H,20,22)
InChIKeyRGHOJOSHWREDHS-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.85
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 49074437) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID49074437
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCCO2)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C17H22F2N2O3/c18-16(19)11-21-5-3-13(4-6-21)20-17(22)10-12-1-2-14-15(9-12)24-8-7-23-14/h1-2,9,13,16H,3-8,10-11H2,(H,20,22)
InChIKeyRGHOJOSHWREDHS-UHFFFAOYSA-N
XLogP1.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 49074437) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)NC1CCN(CC(F)F)CC1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is RGHOJOSHWREDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-16(19)11-21-5-3-13(4-6-21)20-17(22)10-12-1-2-14-15(9-12)24-8-7-23-14/h1-2,9,13,16H,3-8,10-11H2,(H,20,22).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 340.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 49074437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).