(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one

C20H25N3O2 — CID 97359349

IUPAC(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
SMILESCCc1nc([C@@H]2CCCN(C(=O)CC/C=C\c3ccccc3)C2)no1
InChIInChI=1S/C20H25N3O2/c1-2-18-21-20(22-25-18)17-12-8-14-23(15-17)19(24)13-7-6-11-16-9-4-3-5-10-16/h3-6,9-11,17H,2,7-8,12-15H2,1H3/b11-6-/t17-/m1/s1
InChIKeyZPIUDIIIRTXWCG-ACAQERRYSA-N
MW339.44 g/mol
LogP3.83
Rot. Bonds6

About (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one

(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one (PubChem CID 97359349) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
PubChem CID97359349
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
SMILESCCc1nc([C@@H]2CCCN(C(=O)CC/C=C\c3ccccc3)C2)no1
InChIInChI=1S/C20H25N3O2/c1-2-18-21-20(22-25-18)17-12-8-14-23(15-17)19(24)13-7-6-11-16-9-4-3-5-10-16/h3-6,9-11,17H,2,7-8,12-15H2,1H3/b11-6-/t17-/m1/s1
InChIKeyZPIUDIIIRTXWCG-ACAQERRYSA-N
XLogP3.83
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one with MolForge

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Related Compounds

(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774772
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95221941
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2S,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 98767778
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 91907841
1-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 99992695
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695
3H-benzimidazol-5-yl-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95290365

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one?
The IUPAC name of (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one (CID 97359349) is (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one.
What is the SMILES notation for (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one?
The canonical SMILES for (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one is CCc1nc([C@@H]2CCCN(C(=O)CC/C=C\c3ccccc3)C2)no1.
What is the InChIKey of (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one?
The InChIKey is ZPIUDIIIRTXWCG-ACAQERRYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-18-21-20(22-25-18)17-12-8-14-23(15-17)19(24)13-7-6-11-16-9-4-3-5-10-16/h3-6,9-11,17H,2,7-8,12-15H2,1H3/b11-6-/t17-/m1/s1.
What are the key properties of (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one?
(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one is sourced from PubChem (CID 97359349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).