3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C14H25N5O — CID 79659293

IUPAC3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCN1CCN(C)C(c2noc(CC3CCNCC3)n2)C1
InChIInChI=1S/C14H25N5O/c1-18-7-8-19(2)12(10-18)14-16-13(20-17-14)9-11-3-5-15-6-4-11/h11-12,15H,3-10H2,1-2H3
InChIKeyVCHBGGMOIAUSIV-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.53
Rot. Bonds3

About 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 79659293) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID79659293
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCN1CCN(C)C(c2noc(CC3CCNCC3)n2)C1
InChIInChI=1S/C14H25N5O/c1-18-7-8-19(2)12(10-18)14-16-13(20-17-14)9-11-3-5-15-6-4-11/h11-12,15H,3-10H2,1-2H3
InChIKeyVCHBGGMOIAUSIV-UHFFFAOYSA-N
XLogP0.53
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79658870
1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79666053
3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655534
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 115997587
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 79666898
5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847621
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 79667316
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 79666471
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308049
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525786

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 79659293) is 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is CN1CCN(C)C(c2noc(CC3CCNCC3)n2)C1.
What is the InChIKey of 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is VCHBGGMOIAUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-18-7-8-19(2)12(10-18)14-16-13(20-17-14)9-11-3-5-15-6-4-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 279.39 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79659293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).