(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate

C23H27NO6 — CID 18198886

IUPAC(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C23H27NO6/c1-27-18-15-20(29-3)19(28-2)14-17(18)23(26)30-21(16-10-6-4-7-11-16)22(25)24-12-8-5-9-13-24/h4,6-7,10-11,14-15,21H,5,8-9,12-13H2,1-3H3
InChIKeyIXTHIFNTXCJSLN-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.62
Rot. Bonds7

About (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate

(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate (PubChem CID 18198886) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
PubChem CID18198886
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Name(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C23H27NO6/c1-27-18-15-20(29-3)19(28-2)14-17(18)23(26)30-21(16-10-6-4-7-11-16)22(25)24-12-8-5-9-13-24/h4,6-7,10-11,14-15,21H,5,8-9,12-13H2,1-3H3
InChIKeyIXTHIFNTXCJSLN-UHFFFAOYSA-N
XLogP3.62
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 7698906
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-fluoro-4-methoxybenzoate
CID 7736918
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-hydroxy-5-methoxybenzoate
CID 7716245
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dimethylbenzoate
CID 7699703
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-fluoro-4-methoxybenzoate
CID 8837625
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (E)-3-(2,4,5-trimethoxyphenyl)prop-2-enoate
CID 8641093
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7704107
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2,5-dimethoxybenzoate
CID 7716217
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2,4,5-trimethoxybenzoate
CID 55390142
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate?
The IUPAC name of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate (CID 18198886) is (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate.
What is the SMILES notation for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate?
The canonical SMILES for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OC(C(=O)N2CCCCC2)c2ccccc2)cc1OC.
What is the InChIKey of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate?
The InChIKey is IXTHIFNTXCJSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO6/c1-27-18-15-20(29-3)19(28-2)14-17(18)23(26)30-21(16-10-6-4-7-11-16)22(25)24-12-8-5-9-13-24/h4,6-7,10-11,14-15,21H,5,8-9,12-13H2,1-3H3.
What are the key properties of (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate?
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate has a molecular weight of 413.47 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-phenyl-2-piperidin-1-ylethyl) 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 18198886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).