N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

C25H25N3O4 — CID 3626929

IUPACN-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O4/c1-17(29)18-9-11-19(12-10-18)26-25(32)24(31)21-15-28(22-8-4-3-7-20(21)22)16-23(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,26,32)
InChIKeyYCECYGJMZGKWFM-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.68
Rot. Bonds6

About N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide

N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 3626929) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID3626929
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O4/c1-17(29)18-9-11-19(12-10-18)26-25(32)24(31)21-15-28(22-8-4-3-7-20(21)22)16-23(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,26,32)
InChIKeyYCECYGJMZGKWFM-UHFFFAOYSA-N
XLogP3.68
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide (CID 3626929) is N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is CC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is YCECYGJMZGKWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17(29)18-9-11-19(12-10-18)26-25(32)24(31)21-15-28(22-8-4-3-7-20(21)22)16-23(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,26,32).
What are the key properties of N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide?
N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 431.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 3626929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).