5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid

C14H15FN2O4 — CID 149159822

IUPAC5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(C(=O)O)c1ccc(F)cc12
InChIInChI=1S/C14H15FN2O4/c15-9-1-2-11-10(7-9)14(8-17(11)13(20)21)3-5-16(6-4-14)12(18)19/h1-2,7H,3-6,8H2,(H,18,19)(H,20,21)
InChIKeyBNEQCFJQCWLLMQ-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.34
Rot. Bonds

About 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid

5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid (PubChem CID 149159822) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid.

Molecular Properties

Compound Name5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
PubChem CID149159822
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN(C(=O)O)c1ccc(F)cc12
InChIInChI=1S/C14H15FN2O4/c15-9-1-2-11-10(7-9)14(8-17(11)13(20)21)3-5-16(6-4-14)12(18)19/h1-2,7H,3-6,8H2,(H,18,19)(H,20,21)
InChIKeyBNEQCFJQCWLLMQ-UHFFFAOYSA-N
XLogP2.34
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
(3,5-dichlorophenyl)-(5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 23989391
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
1-[5-fluoro-1'-(3-methylbut-2-enyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-methylbut-2-en-1-one
CID 23733302
1-[5-fluoro-1'-[4-(piperidine-1-carbonyl)cyclohexyl]spiro[2H-indole-3,4'-piperidine]-1-yl]ethanone
CID 59433818
1-(1'-benzyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-3,3-dimethylbutan-1-one
CID 23760772
1'-cyclopropyl-5-fluoro-N-propylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23994922
N-(2,3-dichlorophenyl)-5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23764412
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
[5-fluoro-1'-(3-fluoro-2-nitrobenzoyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-(3-fluoro-2-methylphenyl)methanone
CID 171684331
N-(4-fluorophenyl)-1',5-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23827573
methyl 4-(1-acetyl-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl)azepane-1-carboxylate
CID 59433877

Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid?
The IUPAC name of 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid (CID 149159822) is 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid.
What is the SMILES notation for 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid?
The canonical SMILES for 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid is O=C(O)N1CCC2(CC1)CN(C(=O)O)c1ccc(F)cc12.
What is the InChIKey of 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid?
The InChIKey is BNEQCFJQCWLLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-9-1-2-11-10(7-9)14(8-17(11)13(20)21)3-5-16(6-4-14)12(18)19/h1-2,7H,3-6,8H2,(H,18,19)(H,20,21).
What are the key properties of 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid?
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid has a molecular weight of 294.28 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid is sourced from PubChem (CID 149159822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).