3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C17H25ClN6O3S — CID 120957247

IUPAC3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1.Cl
InChIInChI=1S/C17H24N6O3S.ClH/c1-22-10-7-19-12-15(22)16-20-17(26-21-16)13-4-8-23(9-5-13)27(24,25)14-3-2-6-18-11-14;/h2-3,6,11,13,15,19H,4-5,7-10,12H2,1H3;1H
InChIKeyUWZYVZQGVLQTDW-UHFFFAOYSA-N
MW428.95 g/mol
LogP1.03
Rot. Bonds4

About 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120957247) has the molecular formula C17H25ClN6O3S and a molecular weight of 428.95 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120957247
Molecular FormulaC17H25ClN6O3S
Molecular Weight428.95 g/mol
Exact Mass428.14
IUPAC Name3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCN1CCNCC1c1noc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1.Cl
InChIInChI=1S/C17H24N6O3S.ClH/c1-22-10-7-19-12-15(22)16-20-17(26-21-16)13-4-8-23(9-5-13)27(24,25)14-3-2-6-18-11-14;/h2-3,6,11,13,15,19H,4-5,7-10,12H2,1H3;1H
InChIKeyUWZYVZQGVLQTDW-UHFFFAOYSA-N
XLogP1.03
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
[4-[5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892568
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
3-(1-methylpiperazin-2-yl)-5-[(E)-2-pyridin-3-ylethenyl]-1,2,4-oxadiazole;hydrochloride
CID 120956823
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
3-(1-methylpiperazin-2-yl)-5-(2-phenyloxan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958632
1-[3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 120956441
3-(1-methylpiperazin-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120960065
5-[1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(1-pyridin-3-ylsulfonylazetidin-3-yl)-1,2,4-oxadiazole
CID 91921546
5-cyclopropyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120755250
2-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 120765325

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 120957247) is 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is CN1CCNCC1c1noc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is UWZYVZQGVLQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S.ClH/c1-22-10-7-19-12-15(22)16-20-17(26-21-16)13-4-8-23(9-5-13)27(24,25)14-3-2-6-18-11-14;/h2-3,6,11,13,15,19H,4-5,7-10,12H2,1H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 428.95 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120957247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).