[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

C24H27NO4 — CID 4801530

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C24H27NO4/c1-16-11-13-19(14-12-16)23(27)20-9-4-5-10-21(20)24(28)29-15-22(26)25-17(2)7-6-8-18(25)3/h4-5,9-14,17-18H,6-8,15H2,1-3H3
InChIKeyIKSRGHUUMPZCBZ-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.17
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 4801530) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID4801530
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C24H27NO4/c1-16-11-13-19(14-12-16)23(27)20-9-4-5-10-21(20)24(28)29-15-22(26)25-17(2)7-6-8-18(25)3/h4-5,9-14,17-18H,6-8,15H2,1-3H3
InChIKeyIKSRGHUUMPZCBZ-UHFFFAOYSA-N
XLogP4.17
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 4801530) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is IKSRGHUUMPZCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16-11-13-19(14-12-16)23(27)20-9-4-5-10-21(20)24(28)29-15-22(26)25-17(2)7-6-8-18(25)3/h4-5,9-14,17-18H,6-8,15H2,1-3H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 393.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 4801530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).