1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one

C15H21N3O — CID 59825910

IUPAC1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one
SMILESCC(C)(C)N1CCC2(CC1)C(=O)Nc1ccncc12
InChIInChI=1S/C15H21N3O/c1-14(2,3)18-8-5-15(6-9-18)11-10-16-7-4-12(11)17-13(15)19/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,19)
InChIKeyNNMQGAARYUFXEK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds

About 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one

1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one (PubChem CID 59825910) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one
PubChem CID59825910
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one
SMILESCC(C)(C)N1CCC2(CC1)C(=O)Nc1ccncc12
InChIInChI=1S/C15H21N3O/c1-14(2,3)18-8-5-15(6-9-18)11-10-16-7-4-12(11)17-13(15)19/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,19)
InChIKeyNNMQGAARYUFXEK-UHFFFAOYSA-N
XLogP2.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one (CID 59825910) is 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one is CC(C)(C)N1CCC2(CC1)C(=O)Nc1ccncc12.
What is the InChIKey of 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one?
The InChIKey is NNMQGAARYUFXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-14(2,3)18-8-5-15(6-9-18)11-10-16-7-4-12(11)17-13(15)19/h4,7,10H,5-6,8-9H2,1-3H3,(H,17,19).
What are the key properties of 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one?
1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[1H-pyrrolo[3,2-c]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 59825910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).