2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide

C27H25N3O2 — CID 2353879

IUPAC2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C27H25N3O2/c31-26(27(32)28-21-12-14-22(15-13-21)29-16-6-2-7-17-29)25-24(20-9-3-1-4-10-20)19-23-11-5-8-18-30(23)25/h1,3-5,8-15,18-19H,2,6-7,16-17H2,(H,28,32)
InChIKeyPNRINBHGNXBPPB-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.42
Rot. Bonds5

About 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide

2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 2353879) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID2353879
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C27H25N3O2/c31-26(27(32)28-21-12-14-22(15-13-21)29-16-6-2-7-17-29)25-24(20-9-3-1-4-10-20)19-23-11-5-8-18-30(23)25/h1,3-5,8-15,18-19H,2,6-7,16-17H2,(H,28,32)
InChIKeyPNRINBHGNXBPPB-UHFFFAOYSA-N
XLogP5.42
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide (CID 2353879) is 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide is O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PNRINBHGNXBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-26(27(32)28-21-12-14-22(15-13-21)29-16-6-2-7-17-29)25-24(20-9-3-1-4-10-20)19-23-11-5-8-18-30(23)25/h1,3-5,8-15,18-19H,2,6-7,16-17H2,(H,28,32).
What are the key properties of 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide?
2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-phenylindolizin-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2353879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).