2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone

C16H24N4O — CID 102849821

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCCNC3)C2)c(C)nn1
InChIInChI=1S/C16H24N4O/c1-12-9-14(13(2)19-18-12)15(21)20-8-4-6-16(11-20)5-3-7-17-10-16/h9,17H,3-8,10-11H2,1-2H3
InChIKeyUCSYEKXPUHSIJP-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.70
Rot. Bonds1

About 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone

2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone (PubChem CID 102849821) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
PubChem CID102849821
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCCNC3)C2)c(C)nn1
InChIInChI=1S/C16H24N4O/c1-12-9-14(13(2)19-18-12)15(21)20-8-4-6-16(11-20)5-3-7-17-10-16/h9,17H,3-8,10-11H2,1-2H3
InChIKeyUCSYEKXPUHSIJP-UHFFFAOYSA-N
XLogP1.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 110485292
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
CID 154890513
1,4-diazaspiro[5.5]undecan-1-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671543
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone (CID 102849821) is 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone is Cc1cc(C(=O)N2CCCC3(CCCNC3)C2)c(C)nn1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone?
The InChIKey is UCSYEKXPUHSIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-9-14(13(2)19-18-12)15(21)20-8-4-6-16(11-20)5-3-7-17-10-16/h9,17H,3-8,10-11H2,1-2H3.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone?
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone is sourced from PubChem (CID 102849821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).