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

C15H27N5O — CID 116807805

IUPAC3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(N3CCN(C)CC3)no2)CCCNC1
InChIInChI=1S/C15H27N5O/c1-3-5-15(6-4-7-16-12-15)13-17-14(18-21-13)20-10-8-19(2)9-11-20/h16H,3-12H2,1-2H3
InChIKeySXVAAINNBJLKJQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.24
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 116807805) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID116807805
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(N3CCN(C)CC3)no2)CCCNC1
InChIInChI=1S/C15H27N5O/c1-3-5-15(6-4-7-16-12-15)13-17-14(18-21-13)20-10-8-19(2)9-11-20/h16H,3-12H2,1-2H3
InChIKeySXVAAINNBJLKJQ-UHFFFAOYSA-N
XLogP1.24
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-1-yl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807232
5-(3-ethylpiperidin-3-yl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 116806582
3-tert-butyl-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137913
3-(2-methylcyclopropyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65421668
3-(1-methoxybutyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116702693
3-(tert-butylsulfanylmethyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65133231
1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116807650
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 55220676
3-ethyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144433
5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-amine
CID 65415962
3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 63137750
3-(1-methylpiperazin-2-yl)-5-(1-propylcyclobutyl)-1,2,4-oxadiazole
CID 120960751

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (CID 116807805) is 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(N3CCN(C)CC3)no2)CCCNC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is SXVAAINNBJLKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-5-15(6-4-7-16-12-15)13-17-14(18-21-13)20-10-8-19(2)9-11-20/h16H,3-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 293.41 g/mol, XLogP of 1.24, 4 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-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116807805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).