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

C11H20N4O — CID 115081647

IUPAC3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(CC2CCCCN2)no1
InChIInChI=1S/C11H20N4O/c12-6-3-5-11-14-10(15-16-11)8-9-4-1-2-7-13-9/h9,13H,1-8,12H2
InChIKeyLBOIXQBYSMVLSA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds5

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

3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115081647) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115081647
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(CC2CCCCN2)no1
InChIInChI=1S/C11H20N4O/c12-6-3-5-11-14-10(15-16-11)8-9-4-1-2-7-13-9/h9,13H,1-8,12H2
InChIKeyLBOIXQBYSMVLSA-UHFFFAOYSA-N
XLogP0.65
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080506
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
3-[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081587
3-[3-(thian-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081659
2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078262
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216208
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
3-(2-phenoxyethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371729

Frequently Asked Questions

What is the IUPAC name of 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115081647) is 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is NCCCc1nc(CC2CCCCN2)no1.
What is the InChIKey of 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is LBOIXQBYSMVLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-6-3-5-11-14-10(15-16-11)8-9-4-1-2-7-13-9/h9,13H,1-8,12H2.
What are the key properties of 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(piperidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115081647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).