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

C12H20N4O — CID 79992920

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-8-4-10(13)6-16(5-8)7-11-14-12(17-15-11)9-2-3-9/h8-10H,2-7,13H2,1H3
InChIKeyZQTVTJISQXARKA-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.12
Rot. Bonds3

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

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine (PubChem CID 79992920) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
PubChem CID79992920
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C12H20N4O/c1-8-4-10(13)6-16(5-8)7-11-14-12(17-15-11)9-2-3-9/h8-10H,2-7,13H2,1H3
InChIKeyZQTVTJISQXARKA-UHFFFAOYSA-N
XLogP1.12
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
CID 79993644
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909690
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630226
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103441926
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56781190
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030405

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine (CID 79992920) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine is CC1CC(N)CN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is ZQTVTJISQXARKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-10(13)6-16(5-8)7-11-14-12(17-15-11)9-2-3-9/h8-10H,2-7,13H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 236.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79992920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).