(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

C16H22N2O2 — CID 171943456

IUPAC(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1ccncc1C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C16H22N2O2/c1-18-12-4-3-5-13(18)9-11(8-12)16(19)14-10-17-7-6-15(14)20-2/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyGTMABOWDNQEJGG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds3

About (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171943456) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171943456
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESCOc1ccncc1C(=O)C1CC2CCCC(C1)N2C
InChIInChI=1S/C16H22N2O2/c1-18-12-4-3-5-13(18)9-11(8-12)16(19)14-10-17-7-6-15(14)20-2/h6-7,10-13H,3-5,8-9H2,1-2H3
InChIKeyGTMABOWDNQEJGG-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone with MolForge

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Related Compounds

(4-methoxy-3-pyridinyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943461
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
(4-fluoro-2-methoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171947337
(3-fluoro-4-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 113447198
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
(2-ethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944562
(6-fluoro-2-methyl-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943854
(4-methoxy-2,6-dimethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940656
4-methoxypyridine-3-carboxylate
CID 26119064
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone
CID 171942184

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171943456) is (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is COc1ccncc1C(=O)C1CC2CCCC(C1)N2C.
What is the InChIKey of (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is GTMABOWDNQEJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18-12-4-3-5-13(18)9-11(8-12)16(19)14-10-17-7-6-15(14)20-2/h6-7,10-13H,3-5,8-9H2,1-2H3.
What are the key properties of (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
(4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-pyridinyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171943456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).