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

C22H23NO — CID 14885641

IUPAC1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C22H23NO/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/h2-9H,10-15H2,1H3
InChIKeySKRNSKVLMNAVBY-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.23
Rot. Bonds

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

1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone (PubChem CID 14885641) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone
PubChem CID14885641
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C22H23NO/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/h2-9H,10-15H2,1H3
InChIKeySKRNSKVLMNAVBY-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', '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),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone (CID 14885641) is 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone is CC(=O)N1CCC(=C2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone?
The InChIKey is SKRNSKVLMNAVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/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/h2-9H,10-15H2,1H3.
What are the key properties of 1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone?
1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone has a molecular weight of 317.43 g/mol, XLogP of 4.23, 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),3,5,7,11,13-hexaenylidene)piperidin-1-yl]ethanone is sourced from PubChem (CID 14885641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).