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

C14H24N4O — CID 115080670

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCN1CCCC1Cc1noc(C2CCNCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-18-9-3-4-12(18)10-13-16-14(19-17-13)11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3
InChIKeyMBLKXZKLQUJLAU-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.56
Rot. Bonds4

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

3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 115080670) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID115080670
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCCN1CCCC1Cc1noc(C2CCNCC2)n1
InChIInChI=1S/C14H24N4O/c1-2-18-9-3-4-12(18)10-13-16-14(19-17-13)11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3
InChIKeyMBLKXZKLQUJLAU-UHFFFAOYSA-N
XLogP1.56
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(azepan-4-yl)-3-ethyl-1,2,4-oxadiazole
CID 102548111
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 115079962
5-bromo-3-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole
CID 115079772
1-[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080119
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
3-(ethylsulfanylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 65131299
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanol
CID 115078115
3-(oxan-3-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 115080678
3-but-3-ynyl-5-piperidin-4-yl-1,2,4-oxadiazole
CID 130015814
3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115080750
3-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47529696
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole (CID 115080670) is 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole is CCN1CCCC1Cc1noc(C2CCNCC2)n1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is MBLKXZKLQUJLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-18-9-3-4-12(18)10-13-16-14(19-17-13)11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole?
3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 264.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl]-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115080670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).