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

C22H25NO4 — CID 2337930

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c1-26-20-10-6-5-9-19(20)22(25)27-16-21(24)23-13-11-18(12-14-23)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyWEFXGMHGLUGKMH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.33
Rot. Bonds6

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

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 2337930) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate
PubChem CID2337930
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H25NO4/c1-26-20-10-6-5-9-19(20)22(25)27-16-21(24)23-13-11-18(12-14-23)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3
InChIKeyWEFXGMHGLUGKMH-UHFFFAOYSA-N
XLogP3.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3354
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(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
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[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-hydroxybenzoate
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[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2365487
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
CID 2636785
1-Methylpiperidin-3-YL 2-methoxybenzoate hydrochloride
CID 2911591
Ethyl 1-[2-(2-ethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
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CID 4162556

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate (CID 2337930) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is WEFXGMHGLUGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-26-20-10-6-5-9-19(20)22(25)27-16-21(24)23-13-11-18(12-14-23)15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 367.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 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-methoxybenzoate is sourced from PubChem (CID 2337930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).