1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone

C22H21NO — CID 524039

IUPAC1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C22H21NO/c1-16(24)23-14-12-19(13-15-23)22-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)22/h2-11H,12-15H2,1H3
InChIKeyUDWGIXOMTFQKAU-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.61
Rot. Bonds

About 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone

1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone (PubChem CID 524039) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone
PubChem CID524039
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C22H21NO/c1-16(24)23-14-12-19(13-15-23)22-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)22/h2-11H,12-15H2,1H3
InChIKeyUDWGIXOMTFQKAU-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone (CID 524039) is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone is CC(=O)N1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone?
The InChIKey is UDWGIXOMTFQKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-16(24)23-14-12-19(13-15-23)22-20-8-4-2-6-17(20)10-11-18-7-3-5-9-21(18)22/h2-11H,12-15H2,1H3.
What are the key properties of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone?
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]ethanone is sourced from PubChem (CID 524039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).