3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide

C12H15N3O — CID 12901748

IUPAC3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide
SMILESNC(=O)N1CCN2Cc3ccccc3C2C1
InChIInChI=1S/C12H15N3O/c13-12(16)15-6-5-14-7-9-3-1-2-4-10(9)11(14)8-15/h1-4,11H,5-8H2,(H2,13,16)
InChIKeyOCOYXURPTRQGEW-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.94
Rot. Bonds

About 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide

3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide (PubChem CID 12901748) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide.

Molecular Properties

Compound Name3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide
PubChem CID12901748
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide
SMILESNC(=O)N1CCN2Cc3ccccc3C2C1
InChIInChI=1S/C12H15N3O/c13-12(16)15-6-5-14-7-9-3-1-2-4-10(9)11(14)8-15/h1-4,11H,5-8H2,(H2,13,16)
InChIKeyOCOYXURPTRQGEW-UHFFFAOYSA-N
XLogP0.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide?
The IUPAC name of 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide (CID 12901748) is 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide.
What is the SMILES notation for 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide?
The canonical SMILES for 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide is NC(=O)N1CCN2Cc3ccccc3C2C1.
What is the InChIKey of 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide?
The InChIKey is OCOYXURPTRQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-12(16)15-6-5-14-7-9-3-1-2-4-10(9)11(14)8-15/h1-4,11H,5-8H2,(H2,13,16).
What are the key properties of 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide?
3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-2-carboxamide is sourced from PubChem (CID 12901748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).