5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole

C14H24N4O — CID 115078349

IUPAC5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCN1CCCCC1Cc1nc(C2CCNCC2)no1
InChIInChI=1S/C14H24N4O/c1-18-9-3-2-4-12(18)10-13-16-14(17-19-13)11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3
InChIKeyLTMDIYOELKXBNL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.56
Rot. Bonds3

About 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole

5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 115078349) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID115078349
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCN1CCCCC1Cc1nc(C2CCNCC2)no1
InChIInChI=1S/C14H24N4O/c1-18-9-3-2-4-12(18)10-13-16-14(17-19-13)11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3
InChIKeyLTMDIYOELKXBNL-UHFFFAOYSA-N
XLogP1.56
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078370
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 115997587
3-piperidin-4-yl-5-(thian-3-ylmethyl)-1,2,4-oxadiazole
CID 115078537
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
5-(2-methoxyethoxymethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 86820513
5-(piperidin-4-ylmethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 79609656
3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79659293

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole (CID 115078349) is 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole is CN1CCCCC1Cc1nc(C2CCNCC2)no1.
What is the InChIKey of 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is LTMDIYOELKXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-18-9-3-2-4-12(18)10-13-16-14(17-19-13)11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115078349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).