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

C13H15FN2O2 — CID 175853428

IUPAC1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
SMILESO=C(O)N1CC2(CCN(F)CC2)c2ccccc21
InChIInChI=1S/C13H15FN2O2/c14-15-7-5-13(6-8-15)9-16(12(17)18)11-4-2-1-3-10(11)13/h1-4H,5-9H2,(H,17,18)
InChIKeyZZHRJVKSBHTYSF-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.40
Rot. Bonds

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

1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid (PubChem CID 175853428) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid.

Molecular Properties

Compound Name1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
PubChem CID175853428
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
SMILESO=C(O)N1CC2(CCN(F)CC2)c2ccccc21
InChIInChI=1S/C13H15FN2O2/c14-15-7-5-13(6-8-15)9-16(12(17)18)11-4-2-1-3-10(11)13/h1-4H,5-9H2,(H,17,18)
InChIKeyZZHRJVKSBHTYSF-UHFFFAOYSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
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
5-fluorospiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylic acid
CID 149159822
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
CID 57041656
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
cis-(1R,2S)-2-(spiro[2H-indole-3,1'-cyclopropane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 124727159
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177

Frequently Asked Questions

What is the IUPAC name of 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
The IUPAC name of 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid (CID 175853428) is 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid.
What is the SMILES notation for 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
The canonical SMILES for 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid is O=C(O)N1CC2(CCN(F)CC2)c2ccccc21.
What is the InChIKey of 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
The InChIKey is ZZHRJVKSBHTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-15-7-5-13(6-8-15)9-16(12(17)18)11-4-2-1-3-10(11)13/h1-4H,5-9H2,(H,17,18).
What are the key properties of 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid?
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid has a molecular weight of 250.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid is sourced from PubChem (CID 175853428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).