4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

C23H25N3O6 — CID 75793503

IUPAC4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)C2c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H25N3O6/c1-15-8-9-18(32-15)21(27)19-20(16-6-5-7-17(14-16)26(30)31)25(23(29)22(19)28)13-12-24-10-3-2-4-11-24/h5-9,14,20,28H,2-4,10-13H2,1H3
InChIKeyFPBVHBASNSDKOK-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.56
Rot. Bonds7

About 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75793503) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75793503
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)C2c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C23H25N3O6/c1-15-8-9-18(32-15)21(27)19-20(16-6-5-7-17(14-16)26(30)31)25(23(29)22(19)28)13-12-24-10-3-2-4-11-24/h5-9,14,20,28H,2-4,10-13H2,1H3
InChIKeyFPBVHBASNSDKOK-UHFFFAOYSA-N
XLogP3.56
TPSA117.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793499
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 75793481
2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793477
2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 3421301
2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793344
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793372
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3316718
(2S)-2-(3-butoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 27304724
3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 7349143
(2S)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 1316744
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(3-propoxyphenyl)-2H-pyrrol-5-one
CID 28798477
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-nitrophenyl)-2H-pyrrol-5-one
CID 58285967

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one (CID 75793503) is 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCCCC3)C2c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is FPBVHBASNSDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-15-8-9-18(32-15)21(27)19-20(16-6-5-7-17(14-16)26(30)31)25(23(29)22(19)28)13-12-24-10-3-2-4-11-24/h5-9,14,20,28H,2-4,10-13H2,1H3.
What are the key properties of 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 439.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-nitrophenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).