(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

C11H20N4O — CID 107565626

IUPAC(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC[C@@H](N)c1nc(N2CCCCC2)no1
InChIInChI=1S/C11H20N4O/c1-2-6-9(12)10-13-11(14-16-10)15-7-4-3-5-8-15/h9H,2-8,12H2,1H3/t9-/m1/s1
InChIKeyYBRLCGBNGRNGDJ-SECBINFHSA-N
MW224.31 g/mol
LogP1.86
Rot. Bonds4

About (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine

(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (PubChem CID 107565626) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
PubChem CID107565626
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
SMILESCCC[C@@H](N)c1nc(N2CCCCC2)no1
InChIInChI=1S/C11H20N4O/c1-2-6-9(12)10-13-11(14-16-10)15-7-4-3-5-8-15/h9H,2-8,12H2,1H3/t9-/m1/s1
InChIKeyYBRLCGBNGRNGDJ-SECBINFHSA-N
XLogP1.86
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107145151
(1S)-3-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104983514
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The IUPAC name of (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine (CID 107565626) is (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine.
What is the SMILES notation for (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The canonical SMILES for (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is CCC[C@@H](N)c1nc(N2CCCCC2)no1.
What is the InChIKey of (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
The InChIKey is YBRLCGBNGRNGDJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-6-9(12)10-13-11(14-16-10)15-7-4-3-5-8-15/h9H,2-8,12H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine?
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine is sourced from PubChem (CID 107565626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).