(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone

C21H24N2O3 — CID 171943565

IUPAC(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)C2CC3COCC(C2)N3Cc2ccccc2)cn1
InChIInChI=1S/C21H24N2O3/c1-25-20-8-7-16(11-22-20)21(24)17-9-18-13-26-14-19(10-17)23(18)12-15-5-3-2-4-6-15/h2-8,11,17-19H,9-10,12-14H2,1H3
InChIKeyGNQOAHXVITYRFY-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.95
Rot. Bonds5

About (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone

(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone (PubChem CID 171943565) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone
PubChem CID171943565
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)C2CC3COCC(C2)N3Cc2ccccc2)cn1
InChIInChI=1S/C21H24N2O3/c1-25-20-8-7-16(11-22-20)21(24)17-9-18-13-26-14-19(10-17)23(18)12-15-5-3-2-4-6-15/h2-8,11,17-19H,9-10,12-14H2,1H3
InChIKeyGNQOAHXVITYRFY-UHFFFAOYSA-N
XLogP2.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

4-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)-2-methoxybenzonitrile
CID 171939743
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 171948181
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methoxyquinolin-6-yl)methanone
CID 171943100
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(4-hexylphenyl)methanone
CID 171943016
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-imidazo[1,2-a]pyridin-3-ylmethanone
CID 171945781
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 171939643
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-propan-2-ylphenyl)methanone
CID 171947789
1-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,3-diethoxypropan-1-one
CID 171945307
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-[6-(dimethylamino)-3-pyridinyl]methanone
CID 171946870
1-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3-ethoxypropan-1-one
CID 171938469
3-(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171943764
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-methyl-5-(trifluoromethyl)phenyl]methanone
CID 171949880

Frequently Asked Questions

What is the IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone (CID 171943565) is (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)C2CC3COCC(C2)N3Cc2ccccc2)cn1.
What is the InChIKey of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is GNQOAHXVITYRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-20-8-7-16(11-22-20)21(24)17-9-18-13-26-14-19(10-17)23(18)12-15-5-3-2-4-6-15/h2-8,11,17-19H,9-10,12-14H2,1H3.
What are the key properties of (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone?
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 352.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 171943565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).