[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate

C21H23NO4 — CID 2350990

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1O
InChIInChI=1S/C21H23NO4/c23-19-9-5-4-8-18(19)21(25)26-15-20(24)22-12-10-17(11-13-22)14-16-6-2-1-3-7-16/h1-9,17,23H,10-15H2
InChIKeyYBYIUMDGTZZJIK-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.03
Rot. Bonds5

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate (PubChem CID 2350990) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
PubChem CID2350990
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1O
InChIInChI=1S/C21H23NO4/c23-19-9-5-4-8-18(19)21(25)26-15-20(24)22-12-10-17(11-13-22)14-16-6-2-1-3-7-16/h1-9,17,23H,10-15H2
InChIKeyYBYIUMDGTZZJIK-UHFFFAOYSA-N
XLogP3.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Xenysalate
CID 21720
(2-Morpholin-4-yl-2-oxoethyl) 2-hydroxybenzoate
CID 2094810
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CID 21719
[2-(Benzhydrylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2343076
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
CID 2364511
[2-(2-Methylpropylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2369755
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2469980
(2-Morpholin-4-yl-2-oxoethyl) 1-hydroxynaphthalene-2-carboxylate
CID 2558920
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-hydroxy-3-methylbenzoate
CID 2631392
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3600592
[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 4103005
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate (CID 2350990) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate is O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1O.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
The InChIKey is YBYIUMDGTZZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-19-9-5-4-8-18(19)21(25)26-15-20(24)22-12-10-17(11-13-22)14-16-6-2-1-3-7-16/h1-9,17,23H,10-15H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate has a molecular weight of 353.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-hydroxybenzoate is sourced from PubChem (CID 2350990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).