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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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).