N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine

C9H16N4O — CID 115077717

IUPACN-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCNCc1noc(C2CCCNC2)n1
InChIInChI=1S/C9H16N4O/c1-10-6-8-12-9(14-13-8)7-3-2-4-11-5-7/h7,10-11H,2-6H2,1H3
InChIKeyMIKUCXOVKPZTFG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.26
Rot. Bonds3

About N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine

N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 115077717) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID115077717
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCNCc1noc(C2CCCNC2)n1
InChIInChI=1S/C9H16N4O/c1-10-6-8-12-9(14-13-8)7-3-2-4-11-5-7/h7,10-11H,2-6H2,1H3
InChIKeyMIKUCXOVKPZTFG-UHFFFAOYSA-N
XLogP0.26
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2,2-dimethylpropyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96690532
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
3-[(3,5-dimethylphenyl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62594260
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
N,N-diethyl-2-[5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 28526049
3-(2-phenylethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911754
5-[(3S)-piperidin-3-yl]-3-(propoxymethyl)-1,2,4-oxadiazole
CID 104911775
3-[(2-fluorophenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911758
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62795641
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62797882

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine (CID 115077717) is N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine is CNCc1noc(C2CCCNC2)n1.
What is the InChIKey of N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is MIKUCXOVKPZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-10-6-8-12-9(14-13-8)7-3-2-4-11-5-7/h7,10-11H,2-6H2,1H3.
What are the key properties of N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine?
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 115077717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).