1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]

C18H19N3O2 — CID 12801637

IUPAC1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]
SMILESO=[N+]([O-])c1ccccc1N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C18H19N3O2/c22-21(23)17-8-4-3-7-16(17)20-13-18(9-11-19-12-10-18)14-5-1-2-6-15(14)20/h1-8,19H,9-13H2
InChIKeyRIVDCSLHTSNUQK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.37
Rot. Bonds2

About 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]

1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine] (PubChem CID 12801637) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]
PubChem CID12801637
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]
SMILESO=[N+]([O-])c1ccccc1N1CC2(CCNCC2)c2ccccc21
InChIInChI=1S/C18H19N3O2/c22-21(23)17-8-4-3-7-16(17)20-13-18(9-11-19-12-10-18)14-5-1-2-6-15(14)20/h1-8,19H,9-13H2
InChIKeyRIVDCSLHTSNUQK-UHFFFAOYSA-N
XLogP3.37
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine] (CID 12801637) is 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine] is O=[N+]([O-])c1ccccc1N1CC2(CCNCC2)c2ccccc21.
What is the InChIKey of 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]?
The InChIKey is RIVDCSLHTSNUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-21(23)17-8-4-3-7-16(17)20-13-18(9-11-19-12-10-18)14-5-1-2-6-15(14)20/h1-8,19H,9-13H2.
What are the key properties of 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine]?
1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine] has a molecular weight of 309.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).