spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid

C16H20N2O2 — CID 118195760

IUPACspiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNc1cc3c(cc12)CCC3
InChIInChI=1S/C16H20N2O2/c19-15(20)18-6-4-16(5-7-18)10-17-14-9-12-3-1-2-11(12)8-13(14)16/h8-9,17H,1-7,10H2,(H,19,20)
InChIKeyBCHKWPGVKDNUCE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.61
Rot. Bonds

About spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid

spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 118195760) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID118195760
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namespiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNc1cc3c(cc12)CCC3
InChIInChI=1S/C16H20N2O2/c19-15(20)18-6-4-16(5-7-18)10-17-14-9-12-3-1-2-11(12)8-13(14)16/h8-9,17H,1-7,10H2,(H,19,20)
InChIKeyBCHKWPGVKDNUCE-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid (CID 118195760) is spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)CNc1cc3c(cc12)CCC3.
What is the InChIKey of spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is BCHKWPGVKDNUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(20)18-6-4-16(5-7-18)10-17-14-9-12-3-1-2-11(12)8-13(14)16/h8-9,17H,1-7,10H2,(H,19,20).
What are the key properties of spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid?
spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2,5,6,7-tetrahydro-1H-cyclopenta[f]indole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 118195760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).