4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride

C19H18ClN3O — CID 146405544

IUPAC4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2C(=O)C3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O.ClH/c20-13-14-5-7-15(8-6-14)22-17-4-2-1-3-16(17)19(18(22)23)9-11-21-12-10-19;/h1-8,21H,9-12H2;1H
InChIKeyWPVMYEOUBVAXJE-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.28
Rot. Bonds1

About 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride

4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride (PubChem CID 146405544) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
PubChem CID146405544
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(N2C(=O)C3(CCNCC3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3O.ClH/c20-13-14-5-7-15(8-6-14)22-17-4-2-1-3-16(17)19(18(22)23)9-11-21-12-10-19;/h1-8,21H,9-12H2;1H
InChIKeyWPVMYEOUBVAXJE-UHFFFAOYSA-N
XLogP3.28
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
4-(3-methyl-4-oxo-1,3,8-triazaspiro[4.5]decan-1-yl)benzonitrile;hydrochloride
CID 118417161
1-(1-adamantyl)spiro[indole-3,4'-piperidine]-2-one
CID 69417251
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1-(5,5,5-trifluoro-2-oxopentyl)spiro[indole-3,4'-piperidine]-2-one
CID 147971308
tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
CID 90695133
4-(2,4,5-trioxoimidazolidin-1-yl)benzonitrile
CID 43131910
1-(9-ethyl-8-pyridazin-4-ylpurin-6-yl)spiro[indole-3,4'-piperidine]-2-one
CID 66800068
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
CID 15940810

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride?
The IUPAC name of 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride (CID 146405544) is 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride?
The canonical SMILES for 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(N2C(=O)C3(CCNCC3)c3ccccc32)cc1.
What is the InChIKey of 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride?
The InChIKey is WPVMYEOUBVAXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O.ClH/c20-13-14-5-7-15(8-6-14)22-17-4-2-1-3-16(17)19(18(22)23)9-11-21-12-10-19;/h1-8,21H,9-12H2;1H.
What are the key properties of 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride?
4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride has a molecular weight of 339.83 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxospiro[indole-3,4'-piperidine]-1-yl)benzonitrile;hydrochloride is sourced from PubChem (CID 146405544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).