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

C18H23N3O3 — CID 75792677

IUPAC3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccccn1
InChIInChI=1S/C18H23N3O3/c1-13(22)15-16(14-7-3-4-8-19-14)21(18(24)17(15)23)12-11-20-9-5-2-6-10-20/h3-4,7-8,16,23H,2,5-6,9-12H2,1H3
InChIKeyJEQUIIWYFYQJBD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds5

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

3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 75792677) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID75792677
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccccn1
InChIInChI=1S/C18H23N3O3/c1-13(22)15-16(14-7-3-4-8-19-14)21(18(24)17(15)23)12-11-20-9-5-2-6-10-20/h3-4,7-8,16,23H,2,5-6,9-12H2,1H3
InChIKeyJEQUIIWYFYQJBD-UHFFFAOYSA-N
XLogP1.85
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-4-hydroxy-1-octyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 4302366
3-acetyl-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792605
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 75792679
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 110276638
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792669
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
methyl 4-[3-acetyl-4-hydroxy-5-oxo-1-(2-piperidin-1-ylethyl)-2H-pyrrol-2-yl]benzoate
CID 75792675
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 75792703
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 661937
1-butyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627882
3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 567242
3-acetyl-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 75792613

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 75792677) is 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one is CC(=O)C1=C(O)C(=O)N(CCN2CCCCC2)C1c1ccccn1.
What is the InChIKey of 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is JEQUIIWYFYQJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(22)15-16(14-7-3-4-8-19-14)21(18(24)17(15)23)12-11-20-9-5-2-6-10-20/h3-4,7-8,16,23H,2,5-6,9-12H2,1H3.
What are the key properties of 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 329.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 75792677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).