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

C24H28N2O3 — CID 144930300

IUPACbutyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H28N2O3/c1-2-3-17-29-23(28)25-15-13-24(14-16-25)20-11-7-8-12-21(20)26(22(24)27)18-19-9-5-4-6-10-19/h4-12H,2-3,13-18H2,1H3
InChIKeyWVAXVUPSZLSXSB-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.50
Rot. Bonds5

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

butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 144930300) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebutyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
PubChem CID144930300
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namebutyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
SMILESCCCCOC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C24H28N2O3/c1-2-3-17-29-23(28)25-15-13-24(14-16-25)20-11-7-8-12-21(20)26(22(24)27)18-19-9-5-4-6-10-19/h4-12H,2-3,13-18H2,1H3
InChIKeyWVAXVUPSZLSXSB-UHFFFAOYSA-N
XLogP4.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
tert-butyl 1-[(4-cyanophenyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 146405691
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
8-O-butyl 4-O-ethyl (3R,4R)-1-benzyl-3-hydroxy-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
CID 134786315
butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
CID 19960200
1-benzyl-1'-(furan-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375659
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
benzyl (3R)-1-acetyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192243
1'-(furan-2-carbonyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375649
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
butyl 2-[(4-chlorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72881410
butyl 4-[2-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 142687952

Frequently Asked Questions

What is the IUPAC name of butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate (CID 144930300) is butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate is CCCCOC(=O)N1CCC2(CC1)C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
The InChIKey is WVAXVUPSZLSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-3-17-29-23(28)25-15-13-24(14-16-25)20-11-7-8-12-21(20)26(22(24)27)18-19-9-5-4-6-10-19/h4-12H,2-3,13-18H2,1H3.
What are the key properties of butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate?
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 144930300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).