3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone

C16H22N2O2 — CID 119639155

IUPAC3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCC3CCC(C2)N3)c1
InChIInChI=1S/C16H22N2O2/c1-20-11-12-3-2-4-13(9-12)16(19)18-8-7-14-5-6-15(10-18)17-14/h2-4,9,14-15,17H,5-8,10-11H2,1H3
InChIKeyVIJBFUCHSLMJMF-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.80
Rot. Bonds3

About 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone

3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone (PubChem CID 119639155) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone
PubChem CID119639155
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CCC3CCC(C2)N3)c1
InChIInChI=1S/C16H22N2O2/c1-20-11-12-3-2-4-13(9-12)16(19)18-8-7-14-5-6-15(10-18)17-14/h2-4,9,14-15,17H,5-8,10-11H2,1H3
InChIKeyVIJBFUCHSLMJMF-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]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

[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
[3-[(3-chlorophenyl)methoxy]phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635191
[3-(benzenesulfonylmethyl)phenyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119639320
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone;dihydrochloride
CID 119638178
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(methoxymethyl)furan-2-yl]methanone
CID 119635590
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 51082943
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119638414
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482
[3-(methoxymethyl)phenyl]-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779039

Frequently Asked Questions

What is the IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone?
The IUPAC name of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone (CID 119639155) is 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone?
The canonical SMILES for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone is COCc1cccc(C(=O)N2CCC3CCC(C2)N3)c1.
What is the InChIKey of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone?
The InChIKey is VIJBFUCHSLMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-11-12-3-2-4-13(9-12)16(19)18-8-7-14-5-6-15(10-18)17-14/h2-4,9,14-15,17H,5-8,10-11H2,1H3.
What are the key properties of 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone?
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 119639155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).