3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole

C11H19N3O2 — CID 66246386

IUPAC3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(CO[C@H]2CCCNC2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-13-10(14-16-11)7-15-9-4-3-5-12-6-9/h8-9,12H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyWAXBISXGCPXLPM-VIFPVBQESA-N
MW225.29 g/mol
LogP1.46
Rot. Bonds4

About 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 66246386) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID66246386
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(CO[C@H]2CCCNC2)no1
InChIInChI=1S/C11H19N3O2/c1-8(2)11-13-10(14-16-11)7-15-9-4-3-5-12-6-9/h8-9,12H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyWAXBISXGCPXLPM-VIFPVBQESA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
(3S)-3-[(2-methyltetrazol-5-yl)methoxy]piperidine
CID 107044455
(3R)-3-[(4-propan-2-ylphenyl)methoxy]piperidine
CID 86322666
1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63221785
N-methyl-1-[3-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081192
2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 79261213
3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
5-pentan-2-yl-3-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 63221554
4-methoxy-2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 82893031
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
2-[[(3R)-piperidin-3-yl]oxymethyl]-1,3-thiazole
CID 129372026

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 66246386) is 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(CO[C@H]2CCCNC2)no1.
What is the InChIKey of 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is WAXBISXGCPXLPM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)11-13-10(14-16-11)7-15-9-4-3-5-12-6-9/h8-9,12H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-piperidin-3-yl]oxymethyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 66246386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).