1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

C30H28N2O6 — CID 108696290

IUPAC1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCN(Cc5ccccc5)CC4)C3c3ccco3)oc12
InChIInChI=1S/C30H28N2O6/c1-36-23-10-5-9-20-17-24(38-29(20)23)27(33)25-26(22-11-6-16-37-22)32(30(35)28(25)34)21-12-14-31(15-13-21)18-19-7-3-2-4-8-19/h2-11,16-17,21,26,34H,12-15,18H2,1H3
InChIKeyRUXQMPRFOZISHC-UHFFFAOYSA-N
MW512.56 g/mol
LogP5.28
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one

1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108696290) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108696290
Molecular FormulaC30H28N2O6
Molecular Weight512.56 g/mol
Exact Mass512.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCN(Cc5ccccc5)CC4)C3c3ccco3)oc12
InChIInChI=1S/C30H28N2O6/c1-36-23-10-5-9-20-17-24(38-29(20)23)27(33)25-26(22-11-6-16-37-22)32(30(35)28(25)34)21-12-14-31(15-13-21)18-19-7-3-2-4-8-19/h2-11,16-17,21,26,34H,12-15,18H2,1H3
InChIKeyRUXQMPRFOZISHC-UHFFFAOYSA-N
XLogP5.28
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pentyl-2H-pyrrol-5-one
CID 108656835
1-(3-chloro-4-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108655186
(2R)-1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 28747485
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one
CID 18828746
(4Z)-1-(1-benzylpiperidin-4-yl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
CID 108696240
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607628
1-benzyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 4861955
1-cyclopentyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586440
1-cyclohexyl-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631117
1-cyclohexyl-4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108604497
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-phenyl-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 4730179
3-(1-benzofuran-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108655839

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one (CID 108696290) is 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one is COc1cccc2cc(C(=O)C3=C(O)C(=O)N(C4CCN(Cc5ccccc5)CC4)C3c3ccco3)oc12.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is RUXQMPRFOZISHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-36-23-10-5-9-20-17-24(38-29(20)23)27(33)25-26(22-11-6-16-37-22)32(30(35)28(25)34)21-12-14-31(15-13-21)18-19-7-3-2-4-8-19/h2-11,16-17,21,26,34H,12-15,18H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one?
1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 512.56 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108696290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).