6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid

C13H15ClN2O2 — CID 90232150

IUPAC6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNc1cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O2/c14-9-1-2-10-11(7-9)15-8-13(10)3-5-16(6-4-13)12(17)18/h1-2,7,15H,3-6,8H2,(H,17,18)
InChIKeyHSMTYIMXNQOSFI-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.78
Rot. Bonds

About 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid

6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 90232150) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID90232150
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNc1cc(Cl)ccc12
InChIInChI=1S/C13H15ClN2O2/c14-9-1-2-10-11(7-9)15-8-13(10)3-5-16(6-4-13)12(17)18/h1-2,7,15H,3-6,8H2,(H,17,18)
InChIKeyHSMTYIMXNQOSFI-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylic acid
CID 90449913
spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid
CID 118195760
4-[2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)ethyl]piperidin-4-ol
CID 90807270
methyl (3S)-5-chlorospiro[1,2-dihydroindole-3,3'-pyrrolidine]-1'-carboxylate
CID 90464018
5-(trifluoromethoxy)spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid
CID 118195749
1-tert-butyl-6-chlorospiro[2H-indole-3,4'-piperidine]-1'-carboxylic acid
CID 91454224
ethane;phosphanyl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 143386492
benzyl 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate;benzyl 4-formylpiperidine-1-carboxylate;(3-chlorophenyl)hydrazine
CID 158912483
(E)-1-[(3R,4S)-4-[(1R)-2-(6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)-1-hydroxyethyl]-3,4-dihydroxypiperidin-1-yl]-3-(3,5-difluorophenyl)prop-2-en-1-one
CID 87211219
pyrrolidin-1-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 67667343
benzyl 6-bromospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylate
CID 22490355
6-chlorospiro[1,2-dihydroindene-3,3'-4,5-dihydro-2H-1,5-benzoxazepine]-7'-carboxylic acid
CID 130367541

Frequently Asked Questions

What is the IUPAC name of 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid (CID 90232150) is 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)CNc1cc(Cl)ccc12.
What is the InChIKey of 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is HSMTYIMXNQOSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-9-1-2-10-11(7-9)15-8-13(10)3-5-16(6-4-13)12(17)18/h1-2,7,15H,3-6,8H2,(H,17,18).
What are the key properties of 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid?
6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 266.73 g/mol, XLogP of 2.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorospiro[1,2-dihydroindole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 90232150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).