2-piperidin-4-ylpropan-2-yl docosanoate

C30H59NO2 — CID 155075341

IUPAC2-piperidin-4-ylpropan-2-yl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C30H59NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)33-30(2,3)28-24-26-31-27-25-28/h28,31H,4-27H2,1-3H3
InChIKeyMFYZUEMYDMVLTP-UHFFFAOYSA-N
MW465.81 g/mol
LogP9.13
Rot. Bonds22

About 2-piperidin-4-ylpropan-2-yl docosanoate

2-piperidin-4-ylpropan-2-yl docosanoate (PubChem CID 155075341) has the molecular formula C30H59NO2 and a molecular weight of 465.81 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl docosanoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl docosanoate
PubChem CID155075341
Molecular FormulaC30H59NO2
Molecular Weight465.81 g/mol
Exact Mass465.45
IUPAC Name2-piperidin-4-ylpropan-2-yl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C30H59NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)33-30(2,3)28-24-26-31-27-25-28/h28,31H,4-27H2,1-3H3
InChIKeyMFYZUEMYDMVLTP-UHFFFAOYSA-N
XLogP9.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.81
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-piperidin-4-ylpropan-2-yl docosanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl docosanoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl docosanoate (CID 155075341) is 2-piperidin-4-ylpropan-2-yl docosanoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl docosanoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl docosanoate is CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl docosanoate?
The InChIKey is MFYZUEMYDMVLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29(32)33-30(2,3)28-24-26-31-27-25-28/h28,31H,4-27H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl docosanoate?
2-piperidin-4-ylpropan-2-yl docosanoate has a molecular weight of 465.81 g/mol, XLogP of 9.13, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl docosanoate is sourced from PubChem (CID 155075341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).