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

C20H27N3O2 — CID 50846242

IUPAC2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H27N3O2/c1-3-16(4-2)20(24)23-12-10-15(11-13-23)14-18-21-22-19(25-18)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3
InChIKeyAPQDLFDAWJRBMC-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.95
Rot. Bonds6

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

2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one (PubChem CID 50846242) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one
PubChem CID50846242
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H27N3O2/c1-3-16(4-2)20(24)23-12-10-15(11-13-23)14-18-21-22-19(25-18)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3
InChIKeyAPQDLFDAWJRBMC-UHFFFAOYSA-N
XLogP3.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one (CID 50846242) is 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCC(Cc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
The InChIKey is APQDLFDAWJRBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-16(4-2)20(24)23-12-10-15(11-13-23)14-18-21-22-19(25-18)17-8-6-5-7-9-17/h5-9,15-16H,3-4,10-14H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one?
2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one has a molecular weight of 341.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 50846242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).