[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone

C16H21NO3 — CID 133137687

IUPAC[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC[C@H]3O[C@H](C)C[C@@H]3C2)c1
InChIInChI=1S/C16H21NO3/c1-11-8-13-10-17(7-6-15(13)20-11)16(18)12-4-3-5-14(9-12)19-2/h3-5,9,11,13,15H,6-8,10H2,1-2H3/t11-,13-,15-/m1/s1
InChIKeyCGFOOHSOROOXBU-UXIGCNINSA-N
MW275.35 g/mol
LogP2.33
Rot. Bonds2

About [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone

[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone (PubChem CID 133137687) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
PubChem CID133137687
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC[C@H]3O[C@H](C)C[C@@H]3C2)c1
InChIInChI=1S/C16H21NO3/c1-11-8-13-10-17(7-6-15(13)20-11)16(18)12-4-3-5-14(9-12)19-2/h3-5,9,11,13,15H,6-8,10H2,1-2H3/t11-,13-,15-/m1/s1
InChIKeyCGFOOHSOROOXBU-UXIGCNINSA-N
XLogP2.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone with MolForge

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Related Compounds

1-[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-(3-methoxyphenyl)ethanone
CID 133140414
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 133143377
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 97369376
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(4-chlorophenyl)methanone
CID 97367272
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(1-methylindol-5-yl)methanone
CID 131690274
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
[(2R,3aR,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(cyclopenten-1-yl)methanone
CID 125207293
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
4-[(1S,10S,12R,17S)-5-methoxy-9,9-dimethyl-8,18-dioxa-14-azatetracyclo[8.8.0.02,7.012,17]octadeca-2(7),3,5-triene-14-carbonyl]benzoic acid
CID 110147799
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone (CID 133137687) is [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC[C@H]3O[C@H](C)C[C@@H]3C2)c1.
What is the InChIKey of [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
The InChIKey is CGFOOHSOROOXBU-UXIGCNINSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-8-13-10-17(7-6-15(13)20-11)16(18)12-4-3-5-14(9-12)19-2/h3-5,9,11,13,15H,6-8,10H2,1-2H3/t11-,13-,15-/m1/s1.
What are the key properties of [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone?
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 133137687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).