[6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone

C13H14N2O2 — CID 18536284

IUPAC[6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESO=C=c1ccc(CN2CCNCC2)cc1=C=O
InChIInChI=1S/C13H14N2O2/c16-9-12-2-1-11(7-13(12)10-17)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyAASXOMDWNRDXCY-UHFFFAOYSA-N
MW230.27 g/mol
LogP-1.90
Rot. Bonds2

About [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone

[6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone (PubChem CID 18536284) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone.

Molecular Properties

Compound Name[6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone
PubChem CID18536284
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone
SMILESO=C=c1ccc(CN2CCNCC2)cc1=C=O
InChIInChI=1S/C13H14N2O2/c16-9-12-2-1-11(7-13(12)10-17)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2
InChIKeyAASXOMDWNRDXCY-UHFFFAOYSA-N
XLogP-1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone 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 [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The IUPAC name of [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone (CID 18536284) is [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone.
What is the SMILES notation for [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The canonical SMILES for [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone is O=C=c1ccc(CN2CCNCC2)cc1=C=O.
What is the InChIKey of [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
The InChIKey is AASXOMDWNRDXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-9-12-2-1-11(7-13(12)10-17)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2.
What are the key properties of [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone?
[6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone has a molecular weight of 230.27 g/mol, XLogP of -1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(oxomethylidene)-4-(piperazin-1-ylmethyl)cyclohexa-2,4-dien-1-ylidene]methanone is sourced from PubChem (CID 18536284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).