3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine

C13H24N4O — CID 68571697

IUPAC3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
SMILESCC(C)c1noc(N2CCC(CCCN)CC2)n1
InChIInChI=1S/C13H24N4O/c1-10(2)12-15-13(18-16-12)17-8-5-11(6-9-17)4-3-7-14/h10-11H,3-9,14H2,1-2H3
InChIKeyJQKOQRVDXMYXDL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.15
Rot. Bonds5

About 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine

3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine (PubChem CID 68571697) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
PubChem CID68571697
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine
SMILESCC(C)c1noc(N2CCC(CCCN)CC2)n1
InChIInChI=1S/C13H24N4O/c1-10(2)12-15-13(18-16-12)17-8-5-11(6-9-17)4-3-7-14/h10-11H,3-9,14H2,1-2H3
InChIKeyJQKOQRVDXMYXDL-UHFFFAOYSA-N
XLogP2.15
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine (CID 68571697) is 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine is CC(C)c1noc(N2CCC(CCCN)CC2)n1.
What is the InChIKey of 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine?
The InChIKey is JQKOQRVDXMYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)12-15-13(18-16-12)17-8-5-11(6-9-17)4-3-7-14/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine?
3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propan-1-amine is sourced from PubChem (CID 68571697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).