3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one

C19H25N3O2 — CID 50846243

IUPAC3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(2)12-18(23)22-10-8-15(9-11-22)13-17-20-21-19(24-17)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeySZIWMYKNANCMED-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.56
Rot. Bonds5

About 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one

3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 50846243) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID50846243
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(2)12-18(23)22-10-8-15(9-11-22)13-17-20-21-19(24-17)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3
InChIKeySZIWMYKNANCMED-UHFFFAOYSA-N
XLogP3.56
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one (CID 50846243) is 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is SZIWMYKNANCMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)12-18(23)22-10-8-15(9-11-22)13-17-20-21-19(24-17)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 50846243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).