cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C17H19N3O2 — CID 71652334

IUPACcyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C17H19N3O2/c21-17(13-8-9-13)20-10-4-7-14(11-20)16-18-15(19-22-16)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t14-/m0/s1
InChIKeyRQSZLEYSAWZBFB-AWEZNQCLSA-N
MW297.36 g/mol
LogP2.85
Rot. Bonds3

About cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71652334) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID71652334
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Namecyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C17H19N3O2/c21-17(13-8-9-13)20-10-4-7-14(11-20)16-18-15(19-22-16)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t14-/m0/s1
InChIKeyRQSZLEYSAWZBFB-AWEZNQCLSA-N
XLogP2.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 71652334) is cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is RQSZLEYSAWZBFB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(13-8-9-13)20-10-4-7-14(11-20)16-18-15(19-22-16)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t14-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71652334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).