2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine

C12H20N4O — CID 125437902

IUPAC2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine
SMILESNCC[C@H]1CCCN(c2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c13-6-5-9-2-1-7-16(8-9)12-14-11(17-15-12)10-3-4-10/h9-10H,1-8,13H2/t9-/m1/s1
InChIKeyZSIWYTYZSZEFKQ-SECBINFHSA-N
MW236.32 g/mol
LogP1.51
Rot. Bonds4

About 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine

2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine (PubChem CID 125437902) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine
PubChem CID125437902
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine
SMILESNCC[C@H]1CCCN(c2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c13-6-5-9-2-1-7-16(8-9)12-14-11(17-15-12)10-3-4-10/h9-10H,1-8,13H2/t9-/m1/s1
InChIKeyZSIWYTYZSZEFKQ-SECBINFHSA-N
XLogP1.51
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 104963904
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 119037395
2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
CID 65168736
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 103552158
5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole
CID 122557437
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
2-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]ethanamine
CID 83065103
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole;hydrochloride
CID 154907310

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine (CID 125437902) is 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine is NCC[C@H]1CCCN(c2noc(C3CC3)n2)C1.
What is the InChIKey of 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine?
The InChIKey is ZSIWYTYZSZEFKQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O/c13-6-5-9-2-1-7-16(8-9)12-14-11(17-15-12)10-3-4-10/h9-10H,1-8,13H2/t9-/m1/s1.
What are the key properties of 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine?
2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine has a molecular weight of 236.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 125437902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).