1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile

C20H15Cl2N3O2 — CID 67280064

IUPAC1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)C(=O)N2
InChIInChI=1S/C20H15Cl2N3O2/c21-15-3-2-13(10-16(15)22)18(26)25-7-5-20(6-8-25)14-9-12(11-23)1-4-17(14)24-19(20)27/h1-4,9-10H,5-8H2,(H,24,27)
InChIKeyUROGPOGGFPRLBC-UHFFFAOYSA-N
MW400.27 g/mol
LogP3.99
Rot. Bonds1

About 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile

1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile (PubChem CID 67280064) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile.

Molecular Properties

Compound Name1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
PubChem CID67280064
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)C(=O)N2
InChIInChI=1S/C20H15Cl2N3O2/c21-15-3-2-13(10-16(15)22)18(26)25-7-5-20(6-8-25)14-9-12(11-23)1-4-17(14)24-19(20)27/h1-4,9-10H,5-8H2,(H,24,27)
InChIKeyUROGPOGGFPRLBC-UHFFFAOYSA-N
XLogP3.99
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile 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

4-[[8-(3,4-dichlorobenzoyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]methyl]benzonitrile
CID 66902239
5-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-carbonyl)pyridine-2-carbonitrile
CID 56896844
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
4'-(4-acetyl-1,4-diazepan-1-yl)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carbonitrile
CID 159124826
(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 172518716
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
1'-[2-(4-aminophenoxy)ethyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997467
tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170064238
1'-(2,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid;methyl 1'-(2,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylate
CID 175778215
1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399289
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932

Frequently Asked Questions

What is the IUPAC name of 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile?
The IUPAC name of 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile (CID 67280064) is 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile.
What is the SMILES notation for 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile?
The canonical SMILES for 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile is N#Cc1ccc2c(c1)C1(CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC1)C(=O)N2.
What is the InChIKey of 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile?
The InChIKey is UROGPOGGFPRLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c21-15-3-2-13(10-16(15)22)18(26)25-7-5-20(6-8-25)14-9-12(11-23)1-4-17(14)24-19(20)27/h1-4,9-10H,5-8H2,(H,24,27).
What are the key properties of 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile?
1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile has a molecular weight of 400.27 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile is sourced from PubChem (CID 67280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).