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

C18H23N3O3 — CID 5031162

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCC1CC(C)CN(C(=O)COC(=O)Cn2cnc3ccccc32)C1
InChIInChI=1S/C18H23N3O3/c1-13-7-14(2)9-20(8-13)17(22)11-24-18(23)10-21-12-19-15-5-3-4-6-16(15)21/h3-6,12-14H,7-11H2,1-2H3
InChIKeyXOOSGTPONFCEDH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.08
Rot. Bonds4

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

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 5031162) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID5031162
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCC1CC(C)CN(C(=O)COC(=O)Cn2cnc3ccccc32)C1
InChIInChI=1S/C18H23N3O3/c1-13-7-14(2)9-20(8-13)17(22)11-24-18(23)10-21-12-19-15-5-3-4-6-16(15)21/h3-6,12-14H,7-11H2,1-2H3
InChIKeyXOOSGTPONFCEDH-UHFFFAOYSA-N
XLogP2.08
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 5031162) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is CC1CC(C)CN(C(=O)COC(=O)Cn2cnc3ccccc32)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is XOOSGTPONFCEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-7-14(2)9-20(8-13)17(22)11-24-18(23)10-21-12-19-15-5-3-4-6-16(15)21/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 329.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 5031162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).