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

C11H20N4O — CID 116807285

IUPAC2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)C(N)c1nc(N2CCCCC2)no1
InChIInChI=1S/C11H20N4O/c1-8(2)9(12)10-13-11(14-16-10)15-6-4-3-5-7-15/h8-9H,3-7,12H2,1-2H3
InChIKeySRLSXEYYPLNNIJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.72
Rot. Bonds3

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

2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 116807285) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID116807285
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(C)C(N)c1nc(N2CCCCC2)no1
InChIInChI=1S/C11H20N4O/c1-8(2)9(12)10-13-11(14-16-10)15-6-4-3-5-7-15/h8-9H,3-7,12H2,1-2H3
InChIKeySRLSXEYYPLNNIJ-UHFFFAOYSA-N
XLogP1.72
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565626
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
3-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807044
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 116807285) is 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(C)C(N)c1nc(N2CCCCC2)no1.
What is the InChIKey of 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is SRLSXEYYPLNNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)9(12)10-13-11(14-16-10)15-6-4-3-5-7-15/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 116807285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).