[4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone

C13H21N3O3 — CID 70946507

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCC(C)Cc1noc(C(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)7-11-14-12(19-15-11)13(18)16-5-3-10(8-17)4-6-16/h9-10,17H,3-8H2,1-2H3
InChIKeyYPRWRVMCJPRLKI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.11
Rot. Bonds4

About [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone (PubChem CID 70946507) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone
PubChem CID70946507
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone
SMILESCC(C)Cc1noc(C(=O)N2CCC(CO)CC2)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)7-11-14-12(19-15-11)13(18)16-5-3-10(8-17)4-6-16/h9-10,17H,3-8H2,1-2H3
InChIKeyYPRWRVMCJPRLKI-UHFFFAOYSA-N
XLogP1.11
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone (CID 70946507) is [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone is CC(C)Cc1noc(C(=O)N2CCC(CO)CC2)n1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone?
The InChIKey is YPRWRVMCJPRLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)7-11-14-12(19-15-11)13(18)16-5-3-10(8-17)4-6-16/h9-10,17H,3-8H2,1-2H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone has a molecular weight of 267.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methanone is sourced from PubChem (CID 70946507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).