3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride

C15H28ClN5O2 — CID 120849673

IUPAC3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1noc(CN2CCN(CC3CCCNC3)CC2)n1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-21-12-14-17-15(22-18-14)11-20-7-5-19(6-8-20)10-13-3-2-4-16-9-13;/h13,16H,2-12H2,1H3;1H
InChIKeySBVDJMBAVPLWFY-UHFFFAOYSA-N
MW345.88 g/mol
LogP0.75
Rot. Bonds6

About 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride

3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120849673) has the molecular formula C15H28ClN5O2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120849673
Molecular FormulaC15H28ClN5O2
Molecular Weight345.88 g/mol
Exact Mass345.19
IUPAC Name3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCc1noc(CN2CCN(CC3CCCNC3)CC2)n1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-21-12-14-17-15(22-18-14)11-20-7-5-19(6-8-20)10-13-3-2-4-16-9-13;/h13,16H,2-12H2,1H3;1H
InChIKeySBVDJMBAVPLWFY-UHFFFAOYSA-N
XLogP0.75
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride 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

3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120904126
3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 128512606
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99826427
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
3-[2-(2-methoxyethoxy)ethyl]-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 102926760
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
(5S)-7-(cyclobutylmethyl)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97129127
5-(piperidin-3-ylmethyl)-3-propyl-1,2,4-oxadiazole
CID 62689973
5-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97197370
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133455374
5-(piperidin-3-ylmethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472357

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (CID 120849673) is 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is COCc1noc(CN2CCN(CC3CCCNC3)CC2)n1.Cl.
What is the InChIKey of 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is SBVDJMBAVPLWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.ClH/c1-21-12-14-17-15(22-18-14)11-20-7-5-19(6-8-20)10-13-3-2-4-16-9-13;/h13,16H,2-12H2,1H3;1H.
What are the key properties of 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 345.88 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120849673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).