1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile

C15H17N3O — CID 170119544

IUPAC1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile
SMILESCN1CCC2(CC1)C(=O)N(C)c1ccc(C#N)cc12
InChIInChI=1S/C15H17N3O/c1-17-7-5-15(6-8-17)12-9-11(10-16)3-4-13(12)18(2)14(15)19/h3-4,9H,5-8H2,1-2H3
InChIKeyBAMSFRVOHLYSRC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.50
Rot. Bonds

About 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile

1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile (PubChem CID 170119544) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile.

Molecular Properties

Compound Name1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile
PubChem CID170119544
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile
SMILESCN1CCC2(CC1)C(=O)N(C)c1ccc(C#N)cc12
InChIInChI=1S/C15H17N3O/c1-17-7-5-15(6-8-17)12-9-11(10-16)3-4-13(12)18(2)14(15)19/h3-4,9H,5-8H2,1-2H3
InChIKeyBAMSFRVOHLYSRC-UHFFFAOYSA-N
XLogP1.50
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile?
The IUPAC name of 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile (CID 170119544) is 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile.
What is the SMILES notation for 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile?
The canonical SMILES for 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile is CN1CCC2(CC1)C(=O)N(C)c1ccc(C#N)cc12.
What is the InChIKey of 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile?
The InChIKey is BAMSFRVOHLYSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-17-7-5-15(6-8-17)12-9-11(10-16)3-4-13(12)18(2)14(15)19/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile?
1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-dimethyl-2-oxospiro[indole-3,4'-piperidine]-5-carbonitrile is sourced from PubChem (CID 170119544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).