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

C16H25N3O2 — CID 79540355

IUPAC2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCCc1nc(CN2CCCCC2C2CCCCC2=O)no1
InChIInChI=1S/C16H25N3O2/c1-2-16-17-15(18-21-16)11-19-10-6-5-8-13(19)12-7-3-4-9-14(12)20/h12-13H,2-11H2,1H3
InChIKeyFQLMIGMYNSITLD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.75
Rot. Bonds4

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

2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (PubChem CID 79540355) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
PubChem CID79540355
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one
SMILESCCc1nc(CN2CCCCC2C2CCCCC2=O)no1
InChIInChI=1S/C16H25N3O2/c1-2-16-17-15(18-21-16)11-19-10-6-5-8-13(19)12-7-3-4-9-14(12)20/h12-13H,2-11H2,1H3
InChIKeyFQLMIGMYNSITLD-UHFFFAOYSA-N
XLogP2.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one (CID 79540355) is 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is CCc1nc(CN2CCCCC2C2CCCCC2=O)no1.
What is the InChIKey of 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
The InChIKey is FQLMIGMYNSITLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-16-17-15(18-21-16)11-19-10-6-5-8-13(19)12-7-3-4-9-14(12)20/h12-13H,2-11H2,1H3.
What are the key properties of 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one?
2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one has a molecular weight of 291.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79540355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).