15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

C23H22N2O2 — CID 10473583

IUPAC15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCCN1CCCC(N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1
InChIInChI=1S/C23H22N2O2/c1-2-24-12-6-9-17(14-24)25-22(26)19-11-5-8-16-13-15-7-3-4-10-18(15)21(20(16)19)23(25)27/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3
InChIKeyZVOCFJKXQQVICP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.07
Rot. Bonds2

About 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione

15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (PubChem CID 10473583) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.

Molecular Properties

Compound Name15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
PubChem CID10473583
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
SMILESCCN1CCCC(N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1
InChIInChI=1S/C23H22N2O2/c1-2-24-12-6-9-17(14-24)25-22(26)19-11-5-8-16-13-15-7-3-4-10-18(15)21(20(16)19)23(25)27/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3
InChIKeyZVOCFJKXQQVICP-UHFFFAOYSA-N
XLogP4.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The IUPAC name of 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione (CID 10473583) is 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione.
What is the SMILES notation for 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The canonical SMILES for 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is CCN1CCCC(N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)C1.
What is the InChIKey of 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
The InChIKey is ZVOCFJKXQQVICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-24-12-6-9-17(14-24)25-22(26)19-11-5-8-16-13-15-7-3-4-10-18(15)21(20(16)19)23(25)27/h3-5,7-8,10-11,13,17H,2,6,9,12,14H2,1H3.
What are the key properties of 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione?
15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione has a molecular weight of 358.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1-ethylpiperidin-3-yl)-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione is sourced from PubChem (CID 10473583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).