8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

C22H25N3O5 — CID 14836184

IUPAC8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1C(=O)COc2cccc3onc1c23
InChIInChI=1S/C22H25N3O5/c26-17-12-22(8-1-2-9-22)13-18(27)24(17)10-3-4-11-25-19(28)14-29-15-6-5-7-16-20(15)21(25)23-30-16/h5-7H,1-4,8-14H2
InChIKeySKOMNHBPYKOREA-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.04
Rot. Bonds5

About 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 14836184) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID14836184
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCCCN1C(=O)COc2cccc3onc1c23
InChIInChI=1S/C22H25N3O5/c26-17-12-22(8-1-2-9-22)13-18(27)24(17)10-3-4-11-25-19(28)14-29-15-6-5-7-16-20(15)21(25)23-30-16/h5-7H,1-4,8-14H2
InChIKeySKOMNHBPYKOREA-UHFFFAOYSA-N
XLogP3.04
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-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 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 14836184) is 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCCCN1C(=O)COc2cccc3onc1c23.
What is the InChIKey of 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SKOMNHBPYKOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c26-17-12-22(8-1-2-9-22)13-18(27)24(17)10-3-4-11-25-19(28)14-29-15-6-5-7-16-20(15)21(25)23-30-16/h5-7H,1-4,8-14H2.
What are the key properties of 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 411.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(11-oxo-3,9-dioxa-2,12-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 14836184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).