1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

C16H20N4O2 — CID 648164

IUPAC1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-11-2-4-13(5-3-11)16-18-14(22-19-16)10-20-8-6-12(7-9-20)15(17)21/h2-5,12H,6-10H2,1H3,(H2,17,21)
InChIKeyGIDNBTUQGPFZOK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.74
Rot. Bonds4

About 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide

1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 648164) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
PubChem CID648164
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-11-2-4-13(5-3-11)16-18-14(22-19-16)10-20-8-6-12(7-9-20)15(17)21/h2-5,12H,6-10H2,1H3,(H2,17,21)
InChIKeyGIDNBTUQGPFZOK-UHFFFAOYSA-N
XLogP1.74
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 648164) is 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is Cc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1.
What is the InChIKey of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
The InChIKey is GIDNBTUQGPFZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-2-4-13(5-3-11)16-18-14(22-19-16)10-20-8-6-12(7-9-20)15(17)21/h2-5,12H,6-10H2,1H3,(H2,17,21).
What are the key properties of 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide?
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 648164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).