1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid

C24H25NO2 — CID 18799327

IUPAC1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCC=C2c3ccccc3C=Cc3ccccc32)C1
InChIInChI=1S/C24H25NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-14,20H,5-6,9,15-17H2,(H,26,27)
InChIKeyLEDOSIOZONFVAQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.79
Rot. Bonds4

About 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid

1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid (PubChem CID 18799327) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid
PubChem CID18799327
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(CCC=C2c3ccccc3C=Cc3ccccc32)C1
InChIInChI=1S/C24H25NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-14,20H,5-6,9,15-17H2,(H,26,27)
InChIKeyLEDOSIOZONFVAQ-UHFFFAOYSA-N
XLogP4.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid (CID 18799327) is 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(CCC=C2c3ccccc3C=Cc3ccccc32)C1.
What is the InChIKey of 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid?
The InChIKey is LEDOSIOZONFVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-24(27)20-9-5-15-25(17-20)16-6-12-23-21-10-3-1-7-18(21)13-14-19-8-2-4-11-22(19)23/h1-4,7-8,10-14,20H,5-6,9,15-17H2,(H,26,27).
What are the key properties of 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid?
1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid has a molecular weight of 359.47 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 18799327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).