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

C17H26N6O — CID 56802419

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
SMILESCN(CCn1cccn1)C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H26N6O/c1-21(10-11-23-9-3-7-18-23)15-4-2-8-22(12-15)13-16-19-17(24-20-16)14-5-6-14/h3,7,9,14-15H,2,4-6,8,10-13H2,1H3
InChIKeyJDUSKAUYCJHQGA-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.74
Rot. Bonds7

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine (PubChem CID 56802419) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
PubChem CID56802419
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
SMILESCN(CCn1cccn1)C1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H26N6O/c1-21(10-11-23-9-3-7-18-23)15-4-2-8-22(12-15)13-16-19-17(24-20-16)14-5-6-14/h3,7,9,14-15H,2,4-6,8,10-13H2,1H3
InChIKeyJDUSKAUYCJHQGA-UHFFFAOYSA-N
XLogP1.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine (CID 56802419) is 1-[(5-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine is CN(CCn1cccn1)C1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
The InChIKey is JDUSKAUYCJHQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-21(10-11-23-9-3-7-18-23)15-4-2-8-22(12-15)13-16-19-17(24-20-16)14-5-6-14/h3,7,9,14-15H,2,4-6,8,10-13H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-(2-pyrazol-1-ylethyl)piperidin-3-amine is sourced from PubChem (CID 56802419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).