1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid

C17H23ClN2O2 — CID 91454224

IUPAC1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)N1CC2(CCN(C(=O)O)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C17H23ClN2O2/c1-16(2,3)20-11-17(6-8-19(9-7-17)15(21)22)13-5-4-12(18)10-14(13)20/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)
InChIKeySNSCZDMYFIAKOZ-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.97
Rot. Bonds

About 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid

1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 91454224) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID91454224
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)N1CC2(CCN(C(=O)O)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C17H23ClN2O2/c1-16(2,3)20-11-17(6-8-19(9-7-17)15(21)22)13-5-4-12(18)10-14(13)20/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)
InChIKeySNSCZDMYFIAKOZ-UHFFFAOYSA-N
XLogP3.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid (CID 91454224) is 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid is CC(C)(C)N1CC2(CCN(C(=O)O)CC2)c2ccc(Cl)cc21.
What is the InChIKey of 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is SNSCZDMYFIAKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-16(2,3)20-11-17(6-8-19(9-7-17)15(21)22)13-5-4-12(18)10-14(13)20/h4-5,10H,6-9,11H2,1-3H3,(H,21,22).
What are the key properties of 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid?
1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 322.84 g/mol, XLogP of 3.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 91454224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).