1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine

C11H20N4O — CID 79993644

IUPAC1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
SMILESCCc1noc(CN2CC(C)CC(N)C2)n1
InChIInChI=1S/C11H20N4O/c1-3-10-13-11(16-14-10)7-15-5-8(2)4-9(12)6-15/h8-9H,3-7,12H2,1-2H3
InChIKeyGPRWFLAILCWKRL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.80
Rot. Bonds3

About 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine (PubChem CID 79993644) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
PubChem CID79993644
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
SMILESCCc1noc(CN2CC(C)CC(N)C2)n1
InChIInChI=1S/C11H20N4O/c1-3-10-13-11(16-14-10)7-15-5-8(2)4-9(12)6-15/h8-9H,3-7,12H2,1-2H3
InChIKeyGPRWFLAILCWKRL-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 79993658
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992920
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
(3S,4S)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72869683
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
4-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-2,5-dimethylaniline
CID 89112807
5-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 79992774
1-[(2-ethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 114556413
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 43440669
ethyl 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 60718797
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63849645

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine (CID 79993644) is 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine is CCc1noc(CN2CC(C)CC(N)C2)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is GPRWFLAILCWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-10-13-11(16-14-10)7-15-5-8(2)4-9(12)6-15/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine?
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79993644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).