1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea

C15H26N4O — CID 20721363

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea
SMILESO=C(NC1CN2CCC1CC2)NC1CC2CCC1NC2
InChIInChI=1S/C15H26N4O/c20-15(17-13-7-10-1-2-12(13)16-8-10)18-14-9-19-5-3-11(14)4-6-19/h10-14,16H,1-9H2,(H2,17,18,20)
InChIKeyDUAYUYJYKZLDKE-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.52
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea (PubChem CID 20721363) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea
PubChem CID20721363
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea
SMILESO=C(NC1CN2CCC1CC2)NC1CC2CCC1NC2
InChIInChI=1S/C15H26N4O/c20-15(17-13-7-10-1-2-12(13)16-8-10)18-14-9-19-5-3-11(14)4-6-19/h10-14,16H,1-9H2,(H2,17,18,20)
InChIKeyDUAYUYJYKZLDKE-UHFFFAOYSA-N
XLogP0.52
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea 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 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea (CID 20721363) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea is O=C(NC1CN2CCC1CC2)NC1CC2CCC1NC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea?
The InChIKey is DUAYUYJYKZLDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c20-15(17-13-7-10-1-2-12(13)16-8-10)18-14-9-19-5-3-11(14)4-6-19/h10-14,16H,1-9H2,(H2,17,18,20).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(2-azabicyclo[2.2.2]octan-6-yl)urea is sourced from PubChem (CID 20721363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).