2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate

C27H49NO2 — CID 155075609

IUPAC2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate
SMILESCCCCC/C=C/C/C=C\CCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C27H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)30-27(2,3)25-21-23-28-24-22-25/h8-9,11-12,25,28H,4-7,10,13-24H2,1-3H3/b9-8+,12-11-
InChIKeyYKEXBHVPWYOKFP-UPDVNHGHSA-N
MW419.69 g/mol
LogP7.51
Rot. Bonds17

About 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate

2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate (PubChem CID 155075609) has the molecular formula C27H49NO2 and a molecular weight of 419.69 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate
PubChem CID155075609
Molecular FormulaC27H49NO2
Molecular Weight419.69 g/mol
Exact Mass419.38
IUPAC Name2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate
SMILESCCCCC/C=C/C/C=C\CCCCCCCCC(=O)OC(C)(C)C1CCNCC1
InChIInChI=1S/C27H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)30-27(2,3)25-21-23-28-24-22-25/h8-9,11-12,25,28H,4-7,10,13-24H2,1-3H3/b9-8+,12-11-
InChIKeyYKEXBHVPWYOKFP-UPDVNHGHSA-N
XLogP7.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.69
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate 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 (10Z,13E)-nonadeca-10,13-dienoate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate (CID 155075609) is 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate is CCCCC/C=C/C/C=C\CCCCCCCCC(=O)OC(C)(C)C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate?
The InChIKey is YKEXBHVPWYOKFP-UPDVNHGHSA-N. The full InChI is InChI=1S/C27H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)30-27(2,3)25-21-23-28-24-22-25/h8-9,11-12,25,28H,4-7,10,13-24H2,1-3H3/b9-8+,12-11-.
What are the key properties of 2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate?
2-piperidin-4-ylpropan-2-yl (10Z,13E)-nonadeca-10,13-dienoate has a molecular weight of 419.69 g/mol, XLogP of 7.51, 17 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 (10Z,13E)-nonadeca-10,13-dienoate is sourced from PubChem (CID 155075609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).