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

C17H20N4O2 — CID 54585502

IUPACcyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C17H20N4O2/c22-17(12-5-3-6-12)21-10-4-7-13(11-21)16-19-15(20-23-16)14-8-1-2-9-18-14/h1-2,8-9,12-13H,3-7,10-11H2/t13-/m0/s1
InChIKeyWLKJRCMNWNONOP-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.64
Rot. Bonds3

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

cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 54585502) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID54585502
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namecyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1
InChIInChI=1S/C17H20N4O2/c22-17(12-5-3-6-12)21-10-4-7-13(11-21)16-19-15(20-23-16)14-8-1-2-9-18-14/h1-2,8-9,12-13H,3-7,10-11H2/t13-/m0/s1
InChIKeyWLKJRCMNWNONOP-ZDUSSCGKSA-N
XLogP2.64
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 54585502) is cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1.
What is the InChIKey of cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WLKJRCMNWNONOP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-17(12-5-3-6-12)21-10-4-7-13(11-21)16-19-15(20-23-16)14-8-1-2-9-18-14/h1-2,8-9,12-13H,3-7,10-11H2/t13-/m0/s1.
What are the key properties of cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 312.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3S)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 54585502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).