3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C13H23N5O — CID 106743713

IUPAC3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(N3CCN(C)CC3)no2)CCN1
InChIInChI=1S/C13H23N5O/c1-10-9-11(3-4-14-10)12-15-13(16-19-12)18-7-5-17(2)6-8-18/h10-11,14H,3-9H2,1-2H3
InChIKeySAOPUKDDAZQSHO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.68
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743713) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743713
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(N3CCN(C)CC3)no2)CCN1
InChIInChI=1S/C13H23N5O/c1-10-9-11(3-4-14-10)12-15-13(16-19-12)18-7-5-17(2)6-8-18/h10-11,14H,3-9H2,1-2H3
InChIKeySAOPUKDDAZQSHO-UHFFFAOYSA-N
XLogP0.68
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743714
5-(azepan-2-yl)-3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazole
CID 116807687
4-[5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 114425032
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120835592
5-(2-methylpiperidin-4-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 106743244
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743345
3-(3,4-dichlorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743582
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
4-[5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888982
3-(3,5-difluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743347
3-(tert-butylsulfanylmethyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743452
3-(4-methylpiperazin-1-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 116807868

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743713) is 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1CC(c2nc(N3CCN(C)CC3)no2)CCN1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is SAOPUKDDAZQSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-9-11(3-4-14-10)12-15-13(16-19-12)18-7-5-17(2)6-8-18/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 265.36 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).