N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

C25H27N3O4 — CID 17118599

IUPACN-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-17(29)18-7-9-21(10-8-18)26-24(31)19-11-13-27(14-12-19)25(32)20-15-23(30)28(16-20)22-5-3-2-4-6-22/h2-10,19-20H,11-16H2,1H3,(H,26,31)
InChIKeyPKQYJICGDGMSTL-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.12
Rot. Bonds5

About N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide

N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 17118599) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
PubChem CID17118599
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-17(29)18-7-9-21(10-8-18)26-24(31)19-11-13-27(14-12-19)25(32)20-15-23(30)28(16-20)22-5-3-2-4-6-22/h2-10,19-20H,11-16H2,1H3,(H,26,31)
InChIKeyPKQYJICGDGMSTL-UHFFFAOYSA-N
XLogP3.12
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118694
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-(3,5-difluorophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118809
N-[4-(tert-butylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118743
1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118634
1-[4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoyl]piperidine-4-carboxylic acid
CID 94830866
N-(1,3-benzodioxol-5-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118777
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
N-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118731

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide (CID 17118599) is N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is CC(=O)c1ccc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is PKQYJICGDGMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-17(29)18-7-9-21(10-8-18)26-24(31)19-11-13-27(14-12-19)25(32)20-15-23(30)28(16-20)22-5-3-2-4-6-22/h2-10,19-20H,11-16H2,1H3,(H,26,31).
What are the key properties of N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide?
N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 17118599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).