1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine

C13H22N4O — CID 106392346

IUPAC1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2ncon2)CC1
InChIInChI=1S/C13H22N4O/c1-11(2)3-6-17-7-4-12(5-8-17)14-9-13-15-10-18-16-13/h3,10,12,14H,4-9H2,1-2H3
InChIKeyYYZPCJNTKHFVNC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine (PubChem CID 106392346) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
PubChem CID106392346
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCc2ncon2)CC1
InChIInChI=1S/C13H22N4O/c1-11(2)3-6-17-7-4-12(5-8-17)14-9-13-15-10-18-16-13/h3,10,12,14H,4-9H2,1-2H3
InChIKeyYYZPCJNTKHFVNC-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine (CID 106392346) is 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine is CC(C)=CCN1CCC(NCc2ncon2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
The InChIKey is YYZPCJNTKHFVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(2)3-6-17-7-4-12(5-8-17)14-9-13-15-10-18-16-13/h3,10,12,14H,4-9H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 106392346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).