3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide

C24H27N3O3 — CID 54733938

IUPAC3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O
InChIInChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20,28H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)
InChIKeyMGOWFSPLAUIYQB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.56
Rot. Bonds6

About 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide

3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide (PubChem CID 54733938) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide
PubChem CID54733938
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O
InChIInChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20,28H,2,5-6,9,14-16H2,(H,25,29)(H,26,30)
InChIKeyMGOWFSPLAUIYQB-UHFFFAOYSA-N
XLogP3.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide?
The IUPAC name of 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide (CID 54733938) is 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide.
What is the SMILES notation for 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide?
The canonical SMILES for 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)C(CCc2ccccc2)NC1=O.
What is the InChIKey of 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide?
The InChIKey is MGOWFSPLAUIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22-20(14-9-17-7-3-1-4-8-17)26-24(30)21(22)23(29)25-18-10-12-19(13-11-18)27-15-5-2-6-16-27/h1,3-4,7-8,10-13,20,28H,2,5-6,9,14-16H2,(H,25,29)(H,26,30).
What are the key properties of 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide?
3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-oxo-2-(2-phenylethyl)-N-(4-piperidin-1-ylphenyl)-1,2-dihydropyrrole-4-carboxamide is sourced from PubChem (CID 54733938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).