benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate

C23H26N2O2 — CID 70823758

IUPACbenzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
SMILESCC/N=C1\CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-2-24-21-16-23(20-11-7-6-10-19(20)21)12-14-25(15-13-23)22(26)27-17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/b24-21+
InChIKeyFPOMAICBZXRTRR-DARPEHSRSA-N
MW362.47 g/mol
LogP4.57
Rot. Bonds3

About benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate

benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate (PubChem CID 70823758) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
PubChem CID70823758
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namebenzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
SMILESCC/N=C1\CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C23H26N2O2/c1-2-24-21-16-23(20-11-7-6-10-19(20)21)12-14-25(15-13-23)22(26)27-17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/b24-21+
InChIKeyFPOMAICBZXRTRR-DARPEHSRSA-N
XLogP4.57
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate 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

benzyl 3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylate
CID 59433376
benzyl 4-oxospiro[2,3-dihydronaphthalene-1,4'-piperidine]-1'-carboxylate
CID 178067886
benzyl 4-[2-(2,6-dimethylphenyl)phenyl]-4-hydroxypiperidine-1-carboxylate
CID 143194856
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-hydroxy-4-(2-methylsulfanylphenyl)piperidine-1-carboxylate
CID 18786306
benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
CID 70136146
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
CID 177321267
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate (CID 70823758) is benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate is CC/N=C1\CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
The InChIKey is FPOMAICBZXRTRR-DARPEHSRSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-24-21-16-23(20-11-7-6-10-19(20)21)12-14-25(15-13-23)22(26)27-17-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3/b24-21+.
What are the key properties of benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate?
benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethyliminospiro[2H-indene-1,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 70823758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).