1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride

C12H17Cl2N3O — CID 102564309

IUPAC1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride
SMILESCN1C(=O)C2(CCCNC2)c2ncccc21.Cl.Cl
InChIInChI=1S/C12H15N3O.2ClH/c1-15-9-4-2-7-14-10(9)12(11(15)16)5-3-6-13-8-12;;/h2,4,7,13H,3,5-6,8H2,1H3;2*1H
InChIKeyJJFXCMMDFUNTDT-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.52
Rot. Bonds

About 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride

1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride (PubChem CID 102564309) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride.

Molecular Properties

Compound Name1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride
PubChem CID102564309
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride
SMILESCN1C(=O)C2(CCCNC2)c2ncccc21.Cl.Cl
InChIInChI=1S/C12H15N3O.2ClH/c1-15-9-4-2-7-14-10(9)12(11(15)16)5-3-6-13-8-12;;/h2,4,7,13H,3,5-6,8H2,1H3;2*1H
InChIKeyJJFXCMMDFUNTDT-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride?
The IUPAC name of 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride (CID 102564309) is 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride.
What is the SMILES notation for 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride?
The canonical SMILES for 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride is CN1C(=O)C2(CCCNC2)c2ncccc21.Cl.Cl.
What is the InChIKey of 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride?
The InChIKey is JJFXCMMDFUNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.2ClH/c1-15-9-4-2-7-14-10(9)12(11(15)16)5-3-6-13-8-12;;/h2,4,7,13H,3,5-6,8H2,1H3;2*1H.
What are the key properties of 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride?
1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride has a molecular weight of 290.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[piperidine-3,3'-pyrrolo[3,2-b]pyridine]-2'-one;dihydrochloride is sourced from PubChem (CID 102564309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).