3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride

C18H26ClN5O — CID 120957007

IUPAC3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2ccccc2N2CCCCC2)n1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-22-12-9-19-13-16(22)17-20-18(24-21-17)14-7-3-4-8-15(14)23-10-5-2-6-11-23;/h3-4,7-8,16,19H,2,5-6,9-13H2,1H3;1H
InChIKeyUYVDQQJTVLTJNX-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.72
Rot. Bonds3

About 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120957007) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120957007
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(-c2ccccc2N2CCCCC2)n1.Cl
InChIInChI=1S/C18H25N5O.ClH/c1-22-12-9-19-13-16(22)17-20-18(24-21-17)14-7-3-4-8-15(14)23-10-5-2-6-11-23;/h3-4,7-8,16,19H,2,5-6,9-13H2,1H3;1H
InChIKeyUYVDQQJTVLTJNX-UHFFFAOYSA-N
XLogP2.72
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride (CID 120957007) is 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride is CN1CCNCC1c1noc(-c2ccccc2N2CCCCC2)n1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is UYVDQQJTVLTJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.ClH/c1-22-12-9-19-13-16(22)17-20-18(24-21-17)14-7-3-4-8-15(14)23-10-5-2-6-11-23;/h3-4,7-8,16,19H,2,5-6,9-13H2,1H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 363.89 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(2-piperidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120957007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).