4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one

C19H22F2N2O2 — CID 16747141

IUPAC4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
SMILESO=C(CCCC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ncco1
InChIInChI=1S/C19H22F2N2O2/c20-16-5-4-15(12-17(16)21)13-23-9-6-14(7-10-23)2-1-3-18(24)19-22-8-11-25-19/h4-5,8,11-12,14H,1-3,6-7,9-10,13H2
InChIKeySEPQGUZDKWVTET-UHFFFAOYSA-N
MW348.39 g/mol
LogP4.22
Rot. Bonds7

About 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one

4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one (PubChem CID 16747141) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
PubChem CID16747141
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
SMILESO=C(CCCC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ncco1
InChIInChI=1S/C19H22F2N2O2/c20-16-5-4-15(12-17(16)21)13-23-9-6-14(7-10-23)2-1-3-18(24)19-22-8-11-25-19/h4-5,8,11-12,14H,1-3,6-7,9-10,13H2
InChIKeySEPQGUZDKWVTET-UHFFFAOYSA-N
XLogP4.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one (CID 16747141) is 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one is O=C(CCCC1CCN(Cc2ccc(F)c(F)c2)CC1)c1ncco1.
What is the InChIKey of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
The InChIKey is SEPQGUZDKWVTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-16-5-4-15(12-17(16)21)13-23-9-6-14(7-10-23)2-1-3-18(24)19-22-8-11-25-19/h4-5,8,11-12,14H,1-3,6-7,9-10,13H2.
What are the key properties of 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one has a molecular weight of 348.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 16747141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).