4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one

C23H20N2O2 — CID 155541971

IUPAC4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one
SMILESO=c1cc(N2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C23H20N2O2/c26-22-16-21(20-11-10-17-6-4-5-9-19(17)23(20)27-22)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyDXXLFDKHZZXEKR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.27
Rot. Bonds2

About 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one

4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one (PubChem CID 155541971) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one
PubChem CID155541971
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one
SMILESO=c1cc(N2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C23H20N2O2/c26-22-16-21(20-11-10-17-6-4-5-9-19(17)23(20)27-22)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-11,16H,12-15H2
InChIKeyDXXLFDKHZZXEKR-UHFFFAOYSA-N
XLogP4.27
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one (CID 155541971) is 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one is O=c1cc(N2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one?
The InChIKey is DXXLFDKHZZXEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-22-16-21(20-11-10-17-6-4-5-9-19(17)23(20)27-22)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-11,16H,12-15H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one?
4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one has a molecular weight of 356.43 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)benzo[h]chromen-2-one is sourced from PubChem (CID 155541971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).