1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine

C15H25N7O — CID 56803216

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine
SMILESCCc1nc(CN2CCCC(N(C)CCn3cncn3)C2)no1
InChIInChI=1S/C15H25N7O/c1-3-15-18-14(19-23-15)10-21-6-4-5-13(9-21)20(2)7-8-22-12-16-11-17-22/h11-13H,3-10H2,1-2H3
InChIKeyIALKOQNRHKIFJX-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.82
Rot. Bonds7

About 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine (PubChem CID 56803216) has the molecular formula C15H25N7O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine
PubChem CID56803216
Molecular FormulaC15H25N7O
Molecular Weight319.41 g/mol
Exact Mass319.21
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine
SMILESCCc1nc(CN2CCCC(N(C)CCn3cncn3)C2)no1
InChIInChI=1S/C15H25N7O/c1-3-15-18-14(19-23-15)10-21-6-4-5-13(9-21)20(2)7-8-22-12-16-11-17-22/h11-13H,3-10H2,1-2H3
InChIKeyIALKOQNRHKIFJX-UHFFFAOYSA-N
XLogP0.82
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine (CID 56803216) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine is CCc1nc(CN2CCCC(N(C)CCn3cncn3)C2)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine?
The InChIKey is IALKOQNRHKIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O/c1-3-15-18-14(19-23-15)10-21-6-4-5-13(9-21)20(2)7-8-22-12-16-11-17-22/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine has a molecular weight of 319.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 56803216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).