ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate

C23H23ClF2N2O3 — CID 59003951

IUPACethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc12
InChIInChI=1S/C23H23ClF2N2O3/c1-2-31-20(29)13-27-10-8-23(9-11-27)14-28(19-7-6-15(24)12-16(19)23)22(30)21-17(25)4-3-5-18(21)26/h3-7,12H,2,8-11,13-14H2,1H3
InChIKeyVZDICDRGGPDVPO-UHFFFAOYSA-N
MW448.90 g/mol
LogP4.18
Rot. Bonds4

About ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate

ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate (PubChem CID 59003951) has the molecular formula C23H23ClF2N2O3 and a molecular weight of 448.90 g/mol. Its IUPAC name is ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate
PubChem CID59003951
Molecular FormulaC23H23ClF2N2O3
Molecular Weight448.90 g/mol
Exact Mass448.14
IUPAC Nameethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate
SMILESCCOC(=O)CN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc12
InChIInChI=1S/C23H23ClF2N2O3/c1-2-31-20(29)13-27-10-8-23(9-11-27)14-28(19-7-6-15(24)12-16(19)23)22(30)21-17(25)4-3-5-18(21)26/h3-7,12H,2,8-11,13-14H2,1H3
InChIKeyVZDICDRGGPDVPO-UHFFFAOYSA-N
XLogP4.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate 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 ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate?
The IUPAC name of ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate (CID 59003951) is ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate is CCOC(=O)CN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc12.
What is the InChIKey of ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate?
The InChIKey is VZDICDRGGPDVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N2O3/c1-2-31-20(29)13-27-10-8-23(9-11-27)14-28(19-7-6-15(24)12-16(19)23)22(30)21-17(25)4-3-5-18(21)26/h3-7,12H,2,8-11,13-14H2,1H3.
What are the key properties of ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate?
ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate has a molecular weight of 448.90 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-1-(2,6-difluorobenzoyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]acetate is sourced from PubChem (CID 59003951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).