8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone

C19H21NO2 — CID 171943170

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3CCC(C2)N3)c2ccccc12
InChIInChI=1S/C19H21NO2/c1-22-18-9-8-17(15-4-2-3-5-16(15)18)19(21)12-10-13-6-7-14(11-12)20-13/h2-5,8-9,12-14,20H,6-7,10-11H2,1H3
InChIKeyHNQOYJWJTPYZID-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.56
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone (PubChem CID 171943170) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
PubChem CID171943170
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone
SMILESCOc1ccc(C(=O)C2CC3CCC(C2)N3)c2ccccc12
InChIInChI=1S/C19H21NO2/c1-22-18-9-8-17(15-4-2-3-5-16(15)18)19(21)12-10-13-6-7-14(11-12)20-13/h2-5,8-9,12-14,20H,6-7,10-11H2,1H3
InChIKeyHNQOYJWJTPYZID-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
(4-methoxynaphthalen-1-yl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943186
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
(4-methoxynaphthalen-1-yl)-(2-methylcyclopropyl)methanone
CID 43340021
(4-methoxynaphthalen-1-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943190
8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
anthracen-9-yl(8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939049
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
4-(8-azabicyclo[3.2.1]octane-3-carbonyl)-2-methoxybenzonitrile
CID 171939722
8-azabicyclo[3.2.1]octan-3-yl-(6-methoxy-2-pyridinyl)methanone
CID 171943519

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone (CID 171943170) is 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone is COc1ccc(C(=O)C2CC3CCC(C2)N3)c2ccccc12.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone?
The InChIKey is HNQOYJWJTPYZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-9-8-17(15-4-2-3-5-16(15)18)19(21)12-10-13-6-7-14(11-12)20-13/h2-5,8-9,12-14,20H,6-7,10-11H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(4-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 171943170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).