1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone

C15H20N2O2 — CID 10355250

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN3CCC2CC3)cc1
InChIInChI=1S/C15H20N2O2/c1-19-14-4-2-12(3-5-14)15(18)17-11-10-16-8-6-13(17)7-9-16/h2-5,13H,6-11H2,1H3
InChIKeyYYUJHPFFBNOQAE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.62
Rot. Bonds2

About 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone (PubChem CID 10355250) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
PubChem CID10355250
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN3CCC2CC3)cc1
InChIInChI=1S/C15H20N2O2/c1-19-14-4-2-12(3-5-14)15(18)17-11-10-16-8-6-13(17)7-9-16/h2-5,13H,6-11H2,1H3
InChIKeyYYUJHPFFBNOQAE-UHFFFAOYSA-N
XLogP1.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.1]octan-4-yl-(4-methoxyphenyl)methanone
CID 11608465
(4-methoxyphenyl) 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 45272638
N-[2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-2-oxoethyl]-4-methoxybenzamide
CID 22243702
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[2-(4-cyclobutylpiperazin-1-yl)imidazolidin-1-yl]-(4-methoxyphenyl)methanone
CID 145118312
1,4-diazabicyclo[3.2.2]nonan-4-yl(quinolin-6-yl)methanone
CID 127041508
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 102786618

Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone (CID 10355250) is 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN3CCC2CC3)cc1.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone?
The InChIKey is YYUJHPFFBNOQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-4-2-12(3-5-14)15(18)17-11-10-16-8-6-13(17)7-9-16/h2-5,13H,6-11H2,1H3.
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).