2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one

C21H20N2O3 — CID 46742375

IUPAC2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
SMILESCN1CCN(C(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)CC1
InChIInChI=1S/C21H20N2O3/c1-22-10-12-23(13-11-22)21(25)16-8-6-15(7-9-16)20-14-18(24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3
InChIKeyGCCLEHACQGEQIL-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.85
Rot. Bonds2

About 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one

2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one (PubChem CID 46742375) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
PubChem CID46742375
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
SMILESCN1CCN(C(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)CC1
InChIInChI=1S/C21H20N2O3/c1-22-10-12-23(13-11-22)21(25)16-8-6-15(7-9-16)20-14-18(24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3
InChIKeyGCCLEHACQGEQIL-UHFFFAOYSA-N
XLogP2.85
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-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-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
The IUPAC name of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one (CID 46742375) is 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
The canonical SMILES for 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one is CN1CCN(C(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
The InChIKey is GCCLEHACQGEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22-10-12-23(13-11-22)21(25)16-8-6-15(7-9-16)20-14-18(24)17-4-2-3-5-19(17)26-20/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one?
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one has a molecular weight of 348.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one is sourced from PubChem (CID 46742375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).