[3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone

C15H16F4N4O2 — CID 166293378

IUPAC[3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone
SMILESO=C(c1c(C(F)F)nc2cnccn12)N1CCCC(COC(F)F)C1
InChIInChI=1S/C15H16F4N4O2/c16-13(17)11-12(23-5-3-20-6-10(23)21-11)14(24)22-4-1-2-9(7-22)8-25-15(18)19/h3,5-6,9,13,15H,1-2,4,7-8H2
InChIKeyCNBAYGSFXRLRAY-UHFFFAOYSA-N
MW360.31 g/mol
LogP2.76
Rot. Bonds5

About [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone

[3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone (PubChem CID 166293378) has the molecular formula C15H16F4N4O2 and a molecular weight of 360.31 g/mol. Its IUPAC name is [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone
PubChem CID166293378
Molecular FormulaC15H16F4N4O2
Molecular Weight360.31 g/mol
Exact Mass360.12
IUPAC Name[3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone
SMILESO=C(c1c(C(F)F)nc2cnccn12)N1CCCC(COC(F)F)C1
InChIInChI=1S/C15H16F4N4O2/c16-13(17)11-12(23-5-3-20-6-10(23)21-11)14(24)22-4-1-2-9(7-22)8-25-15(18)19/h3,5-6,9,13,15H,1-2,4,7-8H2
InChIKeyCNBAYGSFXRLRAY-UHFFFAOYSA-N
XLogP2.76
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone?
The IUPAC name of [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone (CID 166293378) is [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone?
The canonical SMILES for [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone is O=C(c1c(C(F)F)nc2cnccn12)N1CCCC(COC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone?
The InChIKey is CNBAYGSFXRLRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N4O2/c16-13(17)11-12(23-5-3-20-6-10(23)21-11)14(24)22-4-1-2-9(7-22)8-25-15(18)19/h3,5-6,9,13,15H,1-2,4,7-8H2.
What are the key properties of [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone?
[3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone has a molecular weight of 360.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxymethyl)piperidin-1-yl]-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]methanone is sourced from PubChem (CID 166293378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).