2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one

C16H21N3O2 — CID 12901796

IUPAC2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
SMILESCN(C)CCC(=O)N1CCN2C(=O)c3ccccc3C2C1
InChIInChI=1S/C16H21N3O2/c1-17(2)8-7-15(20)18-9-10-19-14(11-18)12-5-3-4-6-13(12)16(19)21/h3-6,14H,7-11H2,1-2H3
InChIKeyLHFBCZDRZFUZMP-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.98
Rot. Bonds3

About 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one

2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one (PubChem CID 12901796) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
PubChem CID12901796
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one
SMILESCN(C)CCC(=O)N1CCN2C(=O)c3ccccc3C2C1
InChIInChI=1S/C16H21N3O2/c1-17(2)8-7-15(20)18-9-10-19-14(11-18)12-5-3-4-6-13(12)16(19)21/h3-6,14H,7-11H2,1-2H3
InChIKeyLHFBCZDRZFUZMP-UHFFFAOYSA-N
XLogP0.98
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
The IUPAC name of 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one (CID 12901796) is 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one is CN(C)CCC(=O)N1CCN2C(=O)c3ccccc3C2C1.
What is the InChIKey of 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
The InChIKey is LHFBCZDRZFUZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17(2)8-7-15(20)18-9-10-19-14(11-18)12-5-3-4-6-13(12)16(19)21/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one?
2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one has a molecular weight of 287.36 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propanoyl]-1,3,4,10b-tetrahydropyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 12901796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).