butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate

C17H22N2O3 — CID 70245325

IUPACbutyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H22N2O3/c1-2-3-12-22-16(21)19-10-8-17(9-11-19)13-6-4-5-7-14(13)18-15(17)20/h4-7H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyVAWWMVGTVNSGKS-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.91
Rot. Bonds3

About butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate

butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 70245325) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebutyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
PubChem CID70245325
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namebutyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C17H22N2O3/c1-2-3-12-22-16(21)19-10-8-17(9-11-19)13-6-4-5-7-14(13)18-15(17)20/h4-7H,2-3,8-12H2,1H3,(H,18,20)
InChIKeyVAWWMVGTVNSGKS-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate (CID 70245325) is butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate is CCCCOC(=O)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is VAWWMVGTVNSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-3-12-22-16(21)19-10-8-17(9-11-19)13-6-4-5-7-14(13)18-15(17)20/h4-7H,2-3,8-12H2,1H3,(H,18,20).
What are the key properties of butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate?
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 70245325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).