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

C25H26ClN3O4 — CID 70879145

IUPAC2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1c2ccc(Cl)cc2CC1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C25H26ClN3O4/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/h3-8,13,21H,9-12,14-15H2,1-2H3
InChIKeyRUPLSGZSBPMBIW-UHFFFAOYSA-N
MW467.95 g/mol
LogP2.85
Rot. Bonds3

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

2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide (PubChem CID 70879145) has the molecular formula C25H26ClN3O4 and a molecular weight of 467.95 g/mol. Its IUPAC name is 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
PubChem CID70879145
Molecular FormulaC25H26ClN3O4
Molecular Weight467.95 g/mol
Exact Mass467.16
IUPAC Name2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1c2ccc(Cl)cc2CC1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12
InChIInChI=1S/C25H26ClN3O4/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/h3-8,13,21H,9-12,14-15H2,1-2H3
InChIKeyRUPLSGZSBPMBIW-UHFFFAOYSA-N
XLogP2.85
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.95
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]-N,N-dimethylacetamide
CID 24951744
1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618206
6-chloro-1'-methylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 67962414
1'-[1-(6-chloro-2,3-dihydro-1H-indol-3-yl)ethenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 89214065
(3R)-1'-[1-(4-chlorophenyl)sulfanylcyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 68962861
2-[6-chloro-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetonitrile
CID 15953020
1'-[1-(4-chlorophenyl)cyclobutanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662217
2-[[6-chloro-3-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]methyl]morpholine-4-carboxylic acid
CID 69016185
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
1'-[2-(4-methoxyphenoxy)acetyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618226
(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11560793

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide (CID 70879145) is 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1c2ccc(Cl)cc2CC1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12.
What is the InChIKey of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
The InChIKey is RUPLSGZSBPMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O4/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/h3-8,13,21H,9-12,14-15H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
2-[5-chloro-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide has a molecular weight of 467.95 g/mol, XLogP of 2.85, 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)-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 70879145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).