8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C19H25N3O2 — CID 16679519

IUPAC8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1cc(OCCCN3CCCCC3)ccc12
InChIInChI=1S/C19H25N3O2/c23-19-18-14-15-13-16(5-6-17(15)22(18)11-7-20-19)24-12-4-10-21-8-2-1-3-9-21/h5-6,13-14H,1-4,7-12H2,(H,20,23)
InChIKeyDDZUOFCXBAZBJH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.64
Rot. Bonds5

About 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 16679519) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID16679519
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1cc(OCCCN3CCCCC3)ccc12
InChIInChI=1S/C19H25N3O2/c23-19-18-14-15-13-16(5-6-17(15)22(18)11-7-20-19)24-12-4-10-21-8-2-1-3-9-21/h5-6,13-14H,1-4,7-12H2,(H,20,23)
InChIKeyDDZUOFCXBAZBJH-UHFFFAOYSA-N
XLogP2.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 16679519) is 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is O=C1NCCn2c1cc1cc(OCCCN3CCCCC3)ccc12.
What is the InChIKey of 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is DDZUOFCXBAZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19-18-14-15-13-16(5-6-17(15)22(18)11-7-20-19)24-12-4-10-21-8-2-1-3-9-21/h5-6,13-14H,1-4,7-12H2,(H,20,23).
What are the key properties of 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 16679519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).