[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine

C13H22N4O2 — CID 129393612

IUPAC[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCO[C@H]1CCN(Cc2noc(C3CC3)n2)[C@H](CN)C1
InChIInChI=1S/C13H22N4O2/c1-18-11-4-5-17(10(6-11)7-14)8-12-15-13(19-16-12)9-2-3-9/h9-11H,2-8,14H2,1H3/t10-,11-/m0/s1
InChIKeyTVKABZAKVIYDOH-QWRGUYRKSA-N
MW266.34 g/mol
LogP0.89
Rot. Bonds5

About [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine

[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 129393612) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID129393612
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCO[C@H]1CCN(Cc2noc(C3CC3)n2)[C@H](CN)C1
InChIInChI=1S/C13H22N4O2/c1-18-11-4-5-17(10(6-11)7-14)8-12-15-13(19-16-12)9-2-3-9/h9-11H,2-8,14H2,1H3/t10-,11-/m0/s1
InChIKeyTVKABZAKVIYDOH-QWRGUYRKSA-N
XLogP0.89
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine (CID 129393612) is [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine is CO[C@H]1CCN(Cc2noc(C3CC3)n2)[C@H](CN)C1.
What is the InChIKey of [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is TVKABZAKVIYDOH-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-11-4-5-17(10(6-11)7-14)8-12-15-13(19-16-12)9-2-3-9/h9-11H,2-8,14H2,1H3/t10-,11-/m0/s1.
What are the key properties of [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine?
[(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 266.34 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 129393612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).