4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide

C16H26N4O3 — CID 91918739

IUPAC4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C16H26N4O3/c1-11(2)17-16(21)20-7-3-13(4-8-20)15-18-14(19-23-15)12-5-9-22-10-6-12/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeyWMCQLMHRJGWIQR-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.26
Rot. Bonds3

About 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide

4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 91918739) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID91918739
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C16H26N4O3/c1-11(2)17-16(21)20-7-3-13(4-8-20)15-18-14(19-23-15)12-5-9-22-10-6-12/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeyWMCQLMHRJGWIQR-UHFFFAOYSA-N
XLogP2.26
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 91918739) is 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(c2nc(C3CCOCC3)no2)CC1.
What is the InChIKey of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WMCQLMHRJGWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)17-16(21)20-7-3-13(4-8-20)15-18-14(19-23-15)12-5-9-22-10-6-12/h11-13H,3-10H2,1-2H3,(H,17,21).
What are the key properties of 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide?
4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 91918739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).