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

C15H26N4O — CID 115080750

IUPAC3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCN1CCCC(Cc2noc(C3CCCNC3)n2)C1
InChIInChI=1S/C15H26N4O/c1-2-19-8-4-5-12(11-19)9-14-17-15(20-18-14)13-6-3-7-16-10-13/h12-13,16H,2-11H2,1H3
InChIKeyVHAOYANYJRZFPG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds4

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

3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 115080750) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID115080750
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCN1CCCC(Cc2noc(C3CCCNC3)n2)C1
InChIInChI=1S/C15H26N4O/c1-2-19-8-4-5-12(11-19)9-14-17-15(20-18-14)13-6-3-7-16-10-13/h12-13,16H,2-11H2,1H3
InChIKeyVHAOYANYJRZFPG-UHFFFAOYSA-N
XLogP1.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-[(1-ethylpyrrolidin-3-yl)methyl]-5-piperidin-2-yl-1,2,4-oxadiazole
CID 115080779
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
1-[3-[(1-ethylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081200
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
CID 158780682
CID 158780682
5-piperidin-3-yl-3-(thiolan-2-ylmethyl)-1,2,4-oxadiazole
CID 115080734
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole (CID 115080750) is 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole is CCN1CCCC(Cc2noc(C3CCCNC3)n2)C1.
What is the InChIKey of 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is VHAOYANYJRZFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-19-8-4-5-12(11-19)9-14-17-15(20-18-14)13-6-3-7-16-10-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole?
3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-3-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115080750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).