2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

C29H30N2O4 — CID 108685584

IUPAC2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)C3c3ccco3)cc2)CC1
InChIInChI=1S/C29H30N2O4/c1-20-15-17-30(18-16-20)22-10-12-23(13-11-22)31-27(25-8-5-19-35-25)26(28(33)29(31)34)24(32)14-9-21-6-3-2-4-7-21/h2-8,10-13,19-20,27,33H,9,14-18H2,1H3
InChIKeyMJSRTEICJIJSPL-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.62
Rot. Bonds7

About 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (PubChem CID 108685584) has the molecular formula C29H30N2O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
PubChem CID108685584
Molecular FormulaC29H30N2O4
Molecular Weight470.57 g/mol
Exact Mass470.22
IUPAC Name2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
SMILESCC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)C3c3ccco3)cc2)CC1
InChIInChI=1S/C29H30N2O4/c1-20-15-17-30(18-16-20)22-10-12-23(13-11-22)31-27(25-8-5-19-35-25)26(28(33)29(31)34)24(32)14-9-21-6-3-2-4-7-21/h2-8,10-13,19-20,27,33H,9,14-18H2,1H3
InChIKeyMJSRTEICJIJSPL-UHFFFAOYSA-N
XLogP5.62
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-4-hydroxy-3-(3-phenylpropanoyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607974
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
2-[4-[2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108607699
(4Z)-5-(furan-2-yl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-2,3-dione
CID 108685568
4-hydroxy-2-(3-hydroxyphenyl)-1-phenyl-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647487
2-(furan-2-yl)-4-hydroxy-1-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108654214
1-(4-fluorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108647226
1-(3,5-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108653689
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108607001
4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622966
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108607873

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one (CID 108685584) is 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is CC1CCN(c2ccc(N3C(=O)C(O)=C(C(=O)CCc4ccccc4)C3c3ccco3)cc2)CC1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is MJSRTEICJIJSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O4/c1-20-15-17-30(18-16-20)22-10-12-23(13-11-22)31-27(25-8-5-19-35-25)26(28(33)29(31)34)24(32)14-9-21-6-3-2-4-7-21/h2-8,10-13,19-20,27,33H,9,14-18H2,1H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 470.57 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108685584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).