[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate

C23H27NO5 — CID 3452708

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C23H27NO5/c1-27-20-10-6-9-19(22(20)28-2)23(26)29-16-21(25)24-13-11-18(12-14-24)15-17-7-4-3-5-8-17/h3-10,18H,11-16H2,1-2H3
InChIKeyLWDRKPVSJPQBLG-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.34
Rot. Bonds7

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate (PubChem CID 3452708) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
PubChem CID3452708
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1OC
InChIInChI=1S/C23H27NO5/c1-27-20-10-6-9-19(22(20)28-2)23(26)29-16-21(25)24-13-11-18(12-14-24)15-17-7-4-3-5-8-17/h3-10,18H,11-16H2,1-2H3
InChIKeyLWDRKPVSJPQBLG-UHFFFAOYSA-N
XLogP3.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate with MolForge

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Related Compounds

1-[4-(2,3-Dimethoxybenzoyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 1072048
RS 116 0086
CID 10404587
2-Formyl-6-methoxyphenyl morpholine-4-carboxylate
CID 575110
(2,3-Dimethoxyphenyl)-morpholin-4-ylmethanone
CID 2950467
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 4248118
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 4984708
ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686
methyl 5-[(E)-1-(3,4-dimethoxyphenyl)-4-(2-oxooxazolidin-3-yl)but-1-enyl]-2-methoxy-3-methyl-benzoate
CID 6482031
(1-Butylpiperidin-4-yl)methyl 1,3-benzodioxole-4-carboxylate
CID 10041634
(Z)-1-(2-((3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydrobenzofuran-6-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 16403653
(2,3-Dimethoxy-phenyl)-[4-(3-phenyl-propyl)-piperazin-1-yl]-methanone
CID 653512

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate (CID 3452708) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate is COc1cccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c1OC.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate?
The InChIKey is LWDRKPVSJPQBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-27-20-10-6-9-19(22(20)28-2)23(26)29-16-21(25)24-13-11-18(12-14-24)15-17-7-4-3-5-8-17/h3-10,18H,11-16H2,1-2H3.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate has a molecular weight of 397.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethoxybenzoate is sourced from PubChem (CID 3452708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).