1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one

C19H25N3O — CID 86581559

IUPAC1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCCCC1
InChIInChI=1S/C19H25N3O/c1-15(20-9-5-2-6-10-20)19(23)21-11-12-22-17(14-21)13-16-7-3-4-8-18(16)22/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3
InChIKeyBRIBIBMFNGSNKD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.86
Rot. Bonds2

About 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one

1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one (PubChem CID 86581559) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one
PubChem CID86581559
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCCCC1
InChIInChI=1S/C19H25N3O/c1-15(20-9-5-2-6-10-20)19(23)21-11-12-22-17(14-21)13-16-7-3-4-8-18(16)22/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3
InChIKeyBRIBIBMFNGSNKD-UHFFFAOYSA-N
XLogP2.86
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one (CID 86581559) is 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCn2c(cc3ccccc32)C1)N1CCCCC1.
What is the InChIKey of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one?
The InChIKey is BRIBIBMFNGSNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(20-9-5-2-6-10-20)19(23)21-11-12-22-17(14-21)13-16-7-3-4-8-18(16)22/h3-4,7-8,13,15H,2,5-6,9-12,14H2,1H3.
What are the key properties of 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one?
1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one has a molecular weight of 311.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 86581559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).