11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one

C23H24N4O — CID 118731446

IUPAC11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one
SMILESO=c1cc2n(CCCN3CCCCC3)c3ncccc3nc-2c2ccccc12
InChIInChI=1S/C23H24N4O/c28-21-16-20-22(18-9-3-2-8-17(18)21)25-19-10-6-11-24-23(19)27(20)15-7-14-26-12-4-1-5-13-26/h2-3,6,8-11,16H,1,4-5,7,12-15H2
InChIKeyKAFOXJAQUXUGFP-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.93
Rot. Bonds4

About 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one

11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one (PubChem CID 118731446) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one.

Molecular Properties

Compound Name11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one
PubChem CID118731446
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one
SMILESO=c1cc2n(CCCN3CCCCC3)c3ncccc3nc-2c2ccccc12
InChIInChI=1S/C23H24N4O/c28-21-16-20-22(18-9-3-2-8-17(18)21)25-19-10-6-11-24-23(19)27(20)15-7-14-26-12-4-1-5-13-26/h2-3,6,8-11,16H,1,4-5,7,12-15H2
InChIKeyKAFOXJAQUXUGFP-UHFFFAOYSA-N
XLogP3.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one?
The IUPAC name of 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one (CID 118731446) is 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one.
What is the SMILES notation for 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one?
The canonical SMILES for 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one is O=c1cc2n(CCCN3CCCCC3)c3ncccc3nc-2c2ccccc12.
What is the InChIKey of 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one?
The InChIKey is KAFOXJAQUXUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-21-16-20-22(18-9-3-2-8-17(18)21)25-19-10-6-11-24-23(19)27(20)15-7-14-26-12-4-1-5-13-26/h2-3,6,8-11,16H,1,4-5,7,12-15H2.
What are the key properties of 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one?
11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one has a molecular weight of 372.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-piperidin-1-ylpropyl)-11,13,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,9,12(17),13,15-octaen-8-one is sourced from PubChem (CID 118731446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).