3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

C20H26N2O3 — CID 75792669

IUPAC3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-6-8-16(9-7-14)18-17(15(2)23)19(24)20(25)22(18)13-12-21-10-4-3-5-11-21/h6-9,18,24H,3-5,10-13H2,1-2H3
InChIKeyULEPGKYTIYDVJM-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.77
Rot. Bonds5

About 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one

3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one (PubChem CID 75792669) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
PubChem CID75792669
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccc(C)cc1
InChIInChI=1S/C20H26N2O3/c1-14-6-8-16(9-7-14)18-17(15(2)23)19(24)20(25)22(18)13-12-21-10-4-3-5-11-21/h6-9,18,24H,3-5,10-13H2,1-2H3
InChIKeyULEPGKYTIYDVJM-UHFFFAOYSA-N
XLogP2.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 767041
3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792605
methyl 4-[3-acetyl-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrol-2-yl]benzoate
CID 75792675
(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1130573
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 75792703
4-hydroxy-2-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793585
(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(3-oxobutyl)-2H-pyrrol-5-one
CID 59367481
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 75792679
2-[(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 7429071
3-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propanoate
CID 6922877
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75792677
2-(4-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793499

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one (CID 75792669) is 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccc(C)cc1.
What is the InChIKey of 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
The InChIKey is ULEPGKYTIYDVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-6-8-16(9-7-14)18-17(15(2)23)19(24)20(25)22(18)13-12-21-10-4-3-5-11-21/h6-9,18,24H,3-5,10-13H2,1-2H3.
What are the key properties of 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one has a molecular weight of 342.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75792669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).