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

C16H19N3O2 — CID 158231096

IUPAC1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(20)13-3-5-15(6-4-13)19-9-7-14(8-10-19)16-17-12(2)18-21-16/h3-6,14H,7-10H2,1-2H3
InChIKeyHFDCPAXWIZKNMC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.96
Rot. Bonds3

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

1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone (PubChem CID 158231096) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
PubChem CID158231096
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C16H19N3O2/c1-11(20)13-3-5-15(6-4-13)19-9-7-14(8-10-19)16-17-12(2)18-21-16/h3-6,14H,7-10H2,1-2H3
InChIKeyHFDCPAXWIZKNMC-UHFFFAOYSA-N
XLogP2.96
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone (CID 158231096) is 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCC(c3nc(C)no3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is HFDCPAXWIZKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(20)13-3-5-15(6-4-13)19-9-7-14(8-10-19)16-17-12(2)18-21-16/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone?
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 158231096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).