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

C20H25N3O2 — CID 71654664

IUPACcyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H25N3O2/c24-20(16-10-5-2-6-11-16)23-13-7-12-17(14-23)19-21-18(22-25-19)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2/t17-/m0/s1
InChIKeyRFDLOFIETSWQLZ-KRWDZBQOSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds3

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

cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71654664) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID71654664
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namecyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C20H25N3O2/c24-20(16-10-5-2-6-11-16)23-13-7-12-17(14-23)19-21-18(22-25-19)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2/t17-/m0/s1
InChIKeyRFDLOFIETSWQLZ-KRWDZBQOSA-N
XLogP4.02
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 71654664) is cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is RFDLOFIETSWQLZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(16-10-5-2-6-11-16)23-13-7-12-17(14-23)19-21-18(22-25-19)15-8-3-1-4-9-15/h1,3-4,8-9,16-17H,2,5-7,10-14H2/t17-/m0/s1.
What are the key properties of cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71654664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).