3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione

C24H30N4O2 — CID 90644478

IUPAC3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
SMILESO=C1c2cccc3nc(N4CCCCC4)cc(c23)C(=O)N1CCCN1CCCCC1
InChIInChI=1S/C24H30N4O2/c29-23-18-9-7-10-20-22(18)19(17-21(25-20)27-14-5-2-6-15-27)24(30)28(23)16-8-13-26-11-3-1-4-12-26/h7,9-10,17H,1-6,8,11-16H2
InChIKeyLPGSOWDVNVOQRL-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.70
Rot. Bonds5

About 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione

3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione (PubChem CID 90644478) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione.

Molecular Properties

Compound Name3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
PubChem CID90644478
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
SMILESO=C1c2cccc3nc(N4CCCCC4)cc(c23)C(=O)N1CCCN1CCCCC1
InChIInChI=1S/C24H30N4O2/c29-23-18-9-7-10-20-22(18)19(17-21(25-20)27-14-5-2-6-15-27)24(30)28(23)16-8-13-26-11-3-1-4-12-26/h7,9-10,17H,1-6,8,11-16H2
InChIKeyLPGSOWDVNVOQRL-UHFFFAOYSA-N
XLogP3.70
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
The IUPAC name of 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione (CID 90644478) is 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione.
What is the SMILES notation for 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
The canonical SMILES for 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione is O=C1c2cccc3nc(N4CCCCC4)cc(c23)C(=O)N1CCCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
The InChIKey is LPGSOWDVNVOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-23-18-9-7-10-20-22(18)19(17-21(25-20)27-14-5-2-6-15-27)24(30)28(23)16-8-13-26-11-3-1-4-12-26/h7,9-10,17H,1-6,8,11-16H2.
What are the key properties of 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione?
3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione has a molecular weight of 406.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione is sourced from PubChem (CID 90644478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).