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

C11H20N4O — CID 71778178

IUPAC3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCN1CCCCC1c1nnc(CCCN)o1
InChIInChI=1S/C11H20N4O/c1-15-8-3-2-5-9(15)11-14-13-10(16-11)6-4-7-12/h9H,2-8,12H2,1H3
InChIKeyUBJYQLMNAJPRLL-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.12
Rot. Bonds4

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

3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 71778178) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID71778178
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCN1CCCCC1c1nnc(CCCN)o1
InChIInChI=1S/C11H20N4O/c1-15-8-3-2-5-9(15)11-14-13-10(16-11)6-4-7-12/h9H,2-8,12H2,1H3
InChIKeyUBJYQLMNAJPRLL-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 97297591
3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 80595435
[4-(1-methylpiperidin-2-yl)-1,3-oxazol-2-yl]methanamine
CID 115020308
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 71778174
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
tert-butyl (2S)-2-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 166545118
3-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62589148
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
3-[5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55225505
2-[5-(4-tert-butylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106960391

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 71778178) is 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CN1CCCCC1c1nnc(CCCN)o1.
What is the InChIKey of 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is UBJYQLMNAJPRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-15-8-3-2-5-9(15)11-14-13-10(16-11)6-4-7-12/h9H,2-8,12H2,1H3.
What are the key properties of 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 71778178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).