1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid

C17H24N2O2 — CID 67540864

IUPAC1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
SMILESCC(C)(C)N1CCC2(CC1)CN(C(=O)O)c1ccccc12
InChIInChI=1S/C17H24N2O2/c1-16(2,3)18-10-8-17(9-11-18)12-19(15(20)21)14-7-5-4-6-13(14)17/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKeyISLUJNFVRIMYDL-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.32
Rot. Bonds

About 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid

1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid (PubChem CID 67540864) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid.

Molecular Properties

Compound Name1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
PubChem CID67540864
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
SMILESCC(C)(C)N1CCC2(CC1)CN(C(=O)O)c1ccccc12
InChIInChI=1S/C17H24N2O2/c1-16(2,3)18-10-8-17(9-11-18)12-19(15(20)21)14-7-5-4-6-13(14)17/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKeyISLUJNFVRIMYDL-UHFFFAOYSA-N
XLogP3.32
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
CID 57041656
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822

Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
The IUPAC name of 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid (CID 67540864) is 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid.
What is the SMILES notation for 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
The canonical SMILES for 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid is CC(C)(C)N1CCC2(CC1)CN(C(=O)O)c1ccccc12.
What is the InChIKey of 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
The InChIKey is ISLUJNFVRIMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2,3)18-10-8-17(9-11-18)12-19(15(20)21)14-7-5-4-6-13(14)17/h4-7H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid is sourced from PubChem (CID 67540864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).