[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate

C17H29NO3 — CID 4108686

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCC1CCCC1
InChIInChI=1S/C17H29NO3/c1-13-6-5-7-14(2)18(13)16(19)12-21-17(20)11-10-15-8-3-4-9-15/h13-15H,3-12H2,1-2H3
InChIKeyRFPVUEMWGUXYLE-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.29
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 4108686) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID4108686
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CCC1CCCC1
InChIInChI=1S/C17H29NO3/c1-13-6-5-7-14(2)18(13)16(19)12-21-17(20)11-10-15-8-3-4-9-15/h13-15H,3-12H2,1-2H3
InChIKeyRFPVUEMWGUXYLE-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate (CID 4108686) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate is CC1CCCC(C)N1C(=O)COC(=O)CCC1CCCC1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is RFPVUEMWGUXYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-6-5-7-14(2)18(13)16(19)12-21-17(20)11-10-15-8-3-4-9-15/h13-15H,3-12H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 295.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 4108686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).