[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

C20H24N2O3 — CID 56721031

IUPAC[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)o2)cc1
InChIInChI=1S/C20H24N2O3/c1-21-15-5-6-16(21)13-22(12-11-15)20(23)19-10-9-18(25-19)14-3-7-17(24-2)8-4-14/h3-4,7-10,15-16H,5-6,11-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyHEPXNAZKDVCCRO-JKSUJKDBSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds3

About [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone

[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (PubChem CID 56721031) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
PubChem CID56721031
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)o2)cc1
InChIInChI=1S/C20H24N2O3/c1-21-15-5-6-16(21)13-22(12-11-15)20(23)19-10-9-18(25-19)14-3-7-17(24-2)8-4-14/h3-4,7-10,15-16H,5-6,11-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyHEPXNAZKDVCCRO-JKSUJKDBSA-N
XLogP3.26
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 70706506
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
(2-hydroxy-4-methoxyphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79117583
[4-(4-methoxy-2-methylphenyl)phenyl]-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 164640567
[5-(4-ethylphenyl)furan-2-yl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997190
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
[(3aS,5R,6R,7aR)-5-(dimethylamino)-6-methoxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 172655794
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 95127124
[5-(4-methoxyphenyl)furan-2-yl]-[4-[2-[(2S)-oxolan-2-yl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42429133

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone (CID 56721031) is [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is COc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)N4C)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
The InChIKey is HEPXNAZKDVCCRO-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21-15-5-6-16(21)13-22(12-11-15)20(23)19-10-9-18(25-19)14-3-7-17(24-2)8-4-14/h3-4,7-10,15-16H,5-6,11-13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone?
[5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)furan-2-yl]-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone is sourced from PubChem (CID 56721031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).