2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C24H28N2O5S — CID 75793699

IUPAC2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCCCC2)c1OC
InChIInChI=1S/C24H28N2O5S/c1-30-17-9-6-8-16(23(17)31-2)20-19(21(27)18-10-7-15-32-18)22(28)24(29)26(20)14-13-25-11-4-3-5-12-25/h6-10,15,20,28H,3-5,11-14H2,1-2H3
InChIKeyTXBNBCANYDSZAN-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.83
Rot. Bonds8

About 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 75793699) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID75793699
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCCCC2)c1OC
InChIInChI=1S/C24H28N2O5S/c1-30-17-9-6-8-16(23(17)31-2)20-19(21(27)18-10-7-15-32-18)22(28)24(29)26(20)14-13-25-11-4-3-5-12-25/h6-10,15,20,28H,3-5,11-14H2,1-2H3
InChIKeyTXBNBCANYDSZAN-UHFFFAOYSA-N
XLogP3.83
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-2-(4-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793585
2-(3-bromophenyl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793581
4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793671
2-(2,3-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918495
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75795576
2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 91973117
(2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1384857
(2S)-2-(2,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155360
4-hydroxy-2-(3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2919233
(2S)-4-hydroxy-2-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155611
3-[2-(2,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl-dimethylazanium
CID 4756433
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 2918309

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 75793699) is 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCCCC2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is TXBNBCANYDSZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-30-17-9-6-8-16(23(17)31-2)20-19(21(27)18-10-7-15-32-18)22(28)24(29)26(20)14-13-25-11-4-3-5-12-25/h6-10,15,20,28H,3-5,11-14H2,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 456.56 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 75793699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).