[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate

C18H25NO3 — CID 4061270

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C18H25NO3/c1-12-8-13(2)10-19(9-12)17(20)11-22-18(21)16-7-5-6-14(3)15(16)4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyMGMNDTRGFGIAGU-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.96
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 4061270) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID4061270
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C18H25NO3/c1-12-8-13(2)10-19(9-12)17(20)11-22-18(21)16-7-5-6-14(3)15(16)4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyMGMNDTRGFGIAGU-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate (CID 4061270) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is MGMNDTRGFGIAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-8-13(2)10-19(9-12)17(20)11-22-18(21)16-7-5-6-14(3)15(16)4/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 303.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 4061270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).