2-(piperazine-1-carbonyl)isoquinolin-1-one

C14H15N3O2 — CID 178029282

IUPAC2-(piperazine-1-carbonyl)isoquinolin-1-one
SMILESO=C(N1CCNCC1)n1ccc2ccccc2c1=O
InChIInChI=1S/C14H15N3O2/c18-13-12-4-2-1-3-11(12)5-8-17(13)14(19)16-9-6-15-7-10-16/h1-5,8,15H,6-7,9-10H2
InChIKeyYNDMQLZEKHSHGL-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.87
Rot. Bonds

About 2-(piperazine-1-carbonyl)isoquinolin-1-one

2-(piperazine-1-carbonyl)isoquinolin-1-one (PubChem CID 178029282) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(piperazine-1-carbonyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(piperazine-1-carbonyl)isoquinolin-1-one
PubChem CID178029282
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(piperazine-1-carbonyl)isoquinolin-1-one
SMILESO=C(N1CCNCC1)n1ccc2ccccc2c1=O
InChIInChI=1S/C14H15N3O2/c18-13-12-4-2-1-3-11(12)5-8-17(13)14(19)16-9-6-15-7-10-16/h1-5,8,15H,6-7,9-10H2
InChIKeyYNDMQLZEKHSHGL-UHFFFAOYSA-N
XLogP0.87
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(piperazine-1-carbonyl)isoquinolin-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 2-(piperazine-1-carbonyl)isoquinolin-1-one?
The IUPAC name of 2-(piperazine-1-carbonyl)isoquinolin-1-one (CID 178029282) is 2-(piperazine-1-carbonyl)isoquinolin-1-one.
What is the SMILES notation for 2-(piperazine-1-carbonyl)isoquinolin-1-one?
The canonical SMILES for 2-(piperazine-1-carbonyl)isoquinolin-1-one is O=C(N1CCNCC1)n1ccc2ccccc2c1=O.
What is the InChIKey of 2-(piperazine-1-carbonyl)isoquinolin-1-one?
The InChIKey is YNDMQLZEKHSHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-12-4-2-1-3-11(12)5-8-17(13)14(19)16-9-6-15-7-10-16/h1-5,8,15H,6-7,9-10H2.
What are the key properties of 2-(piperazine-1-carbonyl)isoquinolin-1-one?
2-(piperazine-1-carbonyl)isoquinolin-1-one has a molecular weight of 257.29 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazine-1-carbonyl)isoquinolin-1-one is sourced from PubChem (CID 178029282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).