(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone

C23H22N2O3 — CID 127918025

IUPAC(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
SMILESCOc1nc(C(=O)N2CCCC3(C2)OCc2ccccc23)cc2ccccc12
InChIInChI=1S/C23H22N2O3/c1-27-21-18-9-4-2-7-16(18)13-20(24-21)22(26)25-12-6-11-23(15-25)19-10-5-3-8-17(19)14-28-23/h2-5,7-10,13H,6,11-12,14-15H2,1H3
InChIKeyNCHGWRPKPJOZSD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.91
Rot. Bonds2

About (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone

(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone (PubChem CID 127918025) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
PubChem CID127918025
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
SMILESCOc1nc(C(=O)N2CCCC3(C2)OCc2ccccc23)cc2ccccc12
InChIInChI=1S/C23H22N2O3/c1-27-21-18-9-4-2-7-16(18)13-20(24-21)22(26)25-12-6-11-23(15-25)19-10-5-3-8-17(19)14-28-23/h2-5,7-10,13H,6,11-12,14-15H2,1H3
InChIKeyNCHGWRPKPJOZSD-UHFFFAOYSA-N
XLogP3.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone with MolForge

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Related Compounds

(1-ethyltriazol-4-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 136564929
(1-methoxyisoquinolin-3-yl)-[4-(methoxymethyl)-4-methylpiperidin-1-yl]methanone
CID 146125418
(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 75419494
[5-methyl-1-(3-methylphenyl)triazol-4-yl]-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone
CID 127919418
(1-methoxyisoquinolin-3-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 71935286
pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
CID 127918005
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895
(2,4-dimethylpiperazin-1-yl)-(1-methoxyisoquinolin-3-yl)methanone
CID 71877416
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
(5-methoxy-1-benzothiophen-2-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 25002131
3-(3-but-3-ynyldiazirin-3-yl)-1-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylpropan-1-one
CID 167746207
(3S)-1-(1-methoxyisoquinoline-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97007368

Frequently Asked Questions

What is the IUPAC name of (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
The IUPAC name of (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone (CID 127918025) is (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
The canonical SMILES for (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone is COc1nc(C(=O)N2CCCC3(C2)OCc2ccccc23)cc2ccccc12.
What is the InChIKey of (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
The InChIKey is NCHGWRPKPJOZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-27-21-18-9-4-2-7-16(18)13-20(24-21)22(26)25-12-6-11-23(15-25)19-10-5-3-8-17(19)14-28-23/h2-5,7-10,13H,6,11-12,14-15H2,1H3.
What are the key properties of (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone?
(1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxyisoquinolin-3-yl)-spiro[1H-2-benzofuran-3,3'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 127918025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).