2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide

C25H24ClN3O4 — CID 24951744

IUPAC2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2cc(Cl)ccc21
InChIInChI=1S/C25H24ClN3O4/c1-27(2)22(30)15-29-20-8-7-17(26)13-16(20)14-21(29)23(31)28-11-9-25(10-12-28)19-6-4-3-5-18(19)24(32)33-25/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyQZXROQYOEXNPKQ-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.68
Rot. Bonds3

About 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide

2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide (PubChem CID 24951744) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide
PubChem CID24951744
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC Name2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2cc(Cl)ccc21
InChIInChI=1S/C25H24ClN3O4/c1-27(2)22(30)15-29-20-8-7-17(26)13-16(20)14-21(29)23(31)28-11-9-25(10-12-28)19-6-4-3-5-18(19)24(32)33-25/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyQZXROQYOEXNPKQ-UHFFFAOYSA-N
XLogP3.68
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide (CID 24951744) is 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(C(=O)N2CCC3(CC2)OC(=O)c2ccccc23)cc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide?
The InChIKey is QZXROQYOEXNPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-27(2)22(30)15-29-20-8-7-17(26)13-16(20)14-21(29)23(31)28-11-9-25(10-12-28)19-6-4-3-5-18(19)24(32)33-25/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide?
2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide has a molecular weight of 465.94 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 24951744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).