(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one

C20H21NO3 — CID 46850496

IUPAC(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one
SMILESCOc1cccc([C@@H]2C[C@@H]3C[C@H]2C(=O)N3c2cccc(OC)c2)c1
InChIInChI=1S/C20H21NO3/c1-23-16-7-3-5-13(9-16)18-11-15-12-19(18)20(22)21(15)14-6-4-8-17(10-14)24-2/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+,19-/m1/s1
InChIKeyONSQLXPTJQGLPU-AYOQOUSVSA-N
MW323.39 g/mol
LogP3.61
Rot. Bonds4

About (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one

(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one (PubChem CID 46850496) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one.

Molecular Properties

Compound Name(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one
PubChem CID46850496
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one
SMILESCOc1cccc([C@@H]2C[C@@H]3C[C@H]2C(=O)N3c2cccc(OC)c2)c1
InChIInChI=1S/C20H21NO3/c1-23-16-7-3-5-13(9-16)18-11-15-12-19(18)20(22)21(15)14-6-4-8-17(10-14)24-2/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+,19-/m1/s1
InChIKeyONSQLXPTJQGLPU-AYOQOUSVSA-N
XLogP3.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one with MolForge

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Related Compounds

(3R,4R)-3-amino-1-(3-methoxyphenyl)-4-methylazetidin-2-one
CID 124676535
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
2-(3-methoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 4577746
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306234
(3R)-3-(3-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 53466595
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-[2-(3-methoxyphenyl)cyclopropyl]ethanol
CID 43828915
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one?
The IUPAC name of (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one (CID 46850496) is (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one.
What is the SMILES notation for (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one?
The canonical SMILES for (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one is COc1cccc([C@@H]2C[C@@H]3C[C@H]2C(=O)N3c2cccc(OC)c2)c1.
What is the InChIKey of (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one?
The InChIKey is ONSQLXPTJQGLPU-AYOQOUSVSA-N. The full InChI is InChI=1S/C20H21NO3/c1-23-16-7-3-5-13(9-16)18-11-15-12-19(18)20(22)21(15)14-6-4-8-17(10-14)24-2/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+,19-/m1/s1.
What are the key properties of (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one?
(1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one has a molecular weight of 323.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-2,5-bis(3-methoxyphenyl)-2-azabicyclo[2.2.1]heptan-3-one is sourced from PubChem (CID 46850496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).