[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate

C22H23NO4 — CID 4073358

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23NO4/c1-16-11-13-23(14-12-16)20(24)15-27-22(26)19-10-6-5-9-18(19)21(25)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeyWJECZPKVFGBOMB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.33
Rot. Bonds5

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate (PubChem CID 4073358) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate
PubChem CID4073358
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23NO4/c1-16-11-13-23(14-12-16)20(24)15-27-22(26)19-10-6-5-9-18(19)21(25)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKeyWJECZPKVFGBOMB-UHFFFAOYSA-N
XLogP3.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate (CID 4073358) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate is CC1CCN(C(=O)COC(=O)c2ccccc2C(=O)c2ccccc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate?
The InChIKey is WJECZPKVFGBOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16-11-13-23(14-12-16)20(24)15-27-22(26)19-10-6-5-9-18(19)21(25)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate has a molecular weight of 365.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-benzoylbenzoate is sourced from PubChem (CID 4073358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).