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

C16H26N6O — CID 56803215

IUPAC1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
SMILESCCc1nc(CN2CCCC(N(C)CCn3cccn3)C2)no1
InChIInChI=1S/C16H26N6O/c1-3-16-18-15(19-23-16)13-21-8-4-6-14(12-21)20(2)10-11-22-9-5-7-17-22/h5,7,9,14H,3-4,6,8,10-13H2,1-2H3
InChIKeyCUNAEYVFJBQZLZ-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.42
Rot. Bonds7

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

1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine (PubChem CID 56803215) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
PubChem CID56803215
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
SMILESCCc1nc(CN2CCCC(N(C)CCn3cccn3)C2)no1
InChIInChI=1S/C16H26N6O/c1-3-16-18-15(19-23-16)13-21-8-4-6-14(12-21)20(2)10-11-22-9-5-7-17-22/h5,7,9,14H,3-4,6,8,10-13H2,1-2H3
InChIKeyCUNAEYVFJBQZLZ-UHFFFAOYSA-N
XLogP1.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-pyrazol-1-ylethyl)piperidin-3-amine?
The IUPAC name of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine (CID 56803215) is 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine.
What is the SMILES notation for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The canonical SMILES for 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine is CCc1nc(CN2CCCC(N(C)CCn3cccn3)C2)no1.
What is the InChIKey of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The InChIKey is CUNAEYVFJBQZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-3-16-18-15(19-23-16)13-21-8-4-6-14(12-21)20(2)10-11-22-9-5-7-17-22/h5,7,9,14H,3-4,6,8,10-13H2,1-2H3.
What are the key properties of 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine has a molecular weight of 318.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-pyrazol-1-ylethyl)piperidin-3-amine is sourced from PubChem (CID 56803215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).