[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate

C23H25NO5 — CID 8925521

IUPAC[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H25NO5/c1-17(23(27)24-14-6-3-7-15-24)29-21(25)16-28-20-12-10-19(11-13-20)22(26)18-8-4-2-5-9-18/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3/t17-/m0/s1
InChIKeyBEDSAHHIPVTULN-KRWDZBQOSA-N
MW395.46 g/mol
LogP3.24
Rot. Bonds7

About [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate

[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate (PubChem CID 8925521) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate
PubChem CID8925521
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate
SMILESC[C@H](OC(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C23H25NO5/c1-17(23(27)24-14-6-3-7-15-24)29-21(25)16-28-20-12-10-19(11-13-20)22(26)18-8-4-2-5-9-18/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3/t17-/m0/s1
InChIKeyBEDSAHHIPVTULN-KRWDZBQOSA-N
XLogP3.24
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 55525865
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
CID 55317024
[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-bromophenoxy)acetate
CID 55419490
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884737
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 55417151
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 8925530
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 46629792
[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 55525968
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24674832
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925634
(1-oxo-1-phenylpropan-2-yl) 2-(4-propanoylphenoxy)acetate
CID 55318248
[1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 55416889

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate?
The IUPAC name of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate (CID 8925521) is [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate is C[C@H](OC(=O)COc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCCCC1.
What is the InChIKey of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate?
The InChIKey is BEDSAHHIPVTULN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25NO5/c1-17(23(27)24-14-6-3-7-15-24)29-21(25)16-28-20-12-10-19(11-13-20)22(26)18-8-4-2-5-9-18/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3/t17-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate?
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate has a molecular weight of 395.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 8925521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).