(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

C23H23N3O5 — CID 46825838

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OC(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C23H23N3O5/c27-19(16-26-23(29)31-21(24-26)18-12-6-2-7-13-18)30-20(17-10-4-1-5-11-17)22(28)25-14-8-3-9-15-25/h1-2,4-7,10-13,20H,3,8-9,14-16H2
InChIKeyXJWPCVROBSSDEQ-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.80
Rot. Bonds6

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (PubChem CID 46825838) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
PubChem CID46825838
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
SMILESO=C(Cn1nc(-c2ccccc2)oc1=O)OC(C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C23H23N3O5/c27-19(16-26-23(29)31-21(24-26)18-12-6-2-7-13-18)30-20(17-10-4-1-5-11-17)22(28)25-14-8-3-9-15-25/h1-2,4-7,10-13,20H,3,8-9,14-16H2
InChIKeyXJWPCVROBSSDEQ-UHFFFAOYSA-N
XLogP2.80
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-(azocan-1-yl)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8632865
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 46825038
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7579776
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8971164
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7703930
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7721632
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 16575644
5-(4-fluorophenyl)-3-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-1,3,4-oxadiazol-2-one
CID 41037018
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate (CID 46825838) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is O=C(Cn1nc(-c2ccccc2)oc1=O)OC(C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
The InChIKey is XJWPCVROBSSDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c27-19(16-26-23(29)31-21(24-26)18-12-6-2-7-13-18)30-20(17-10-4-1-5-11-17)22(28)25-14-8-3-9-15-25/h1-2,4-7,10-13,20H,3,8-9,14-16H2.
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate has a molecular weight of 421.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate is sourced from PubChem (CID 46825838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).