2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide

C24H27N3O3 — CID 54733952

IUPAC2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,28H,2,5-6,13-16H2,(H,25,29)(H,26,30)
InChIKeyUIOUHBZSRHLNCJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.56
Rot. Bonds5

About 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide

2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide (PubChem CID 54733952) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide
PubChem CID54733952
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,28H,2,5-6,13-16H2,(H,25,29)(H,26,30)
InChIKeyUIOUHBZSRHLNCJ-UHFFFAOYSA-N
XLogP3.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide (CID 54733952) is 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C1=C(O)CC(Cc2ccccc2)NC1=O.
What is the InChIKey of 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is UIOUHBZSRHLNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-21-16-19(15-17-7-3-1-4-8-17)26-24(30)22(21)23(29)25-18-9-11-20(12-10-18)27-13-5-2-6-14-27/h1,3-4,7-12,19,28H,2,5-6,13-16H2,(H,25,29)(H,26,30).
What are the key properties of 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide?
2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-hydroxy-6-oxo-N-(4-piperidin-1-ylphenyl)-2,3-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 54733952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).