3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole

C13H23N3O2 — CID 62358192

IUPAC3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COCCC2CCCNC2)no1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-15-12(16-18-13)9-17-7-5-11-4-3-6-14-8-11/h10-11,14H,3-9H2,1-2H3
InChIKeyVRYRAFBBKGCPCZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.10
Rot. Bonds6

About 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole

3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 62358192) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID62358192
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COCCC2CCCNC2)no1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-15-12(16-18-13)9-17-7-5-11-4-3-6-14-8-11/h10-11,14H,3-9H2,1-2H3
InChIKeyVRYRAFBBKGCPCZ-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole (CID 62358192) is 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(COCCC2CCCNC2)no1.
What is the InChIKey of 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VRYRAFBBKGCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)13-15-12(16-18-13)9-17-7-5-11-4-3-6-14-8-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 253.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-3-ylethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62358192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).