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

C24H22N2O2 — CID 155532553

IUPAC4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C24H22N2O2/c27-23-16-22(21-11-10-19-8-4-5-9-20(19)24(21)28-23)26-14-12-25(13-15-26)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
InChIKeyCFTPEOODFHQZEI-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.27
Rot. Bonds3

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

4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one (PubChem CID 155532553) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
PubChem CID155532553
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
SMILESO=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C24H22N2O2/c27-23-16-22(21-11-10-19-8-4-5-9-20(19)24(21)28-23)26-14-12-25(13-15-26)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2
InChIKeyCFTPEOODFHQZEI-UHFFFAOYSA-N
XLogP4.27
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
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-benzylpiperazin-1-yl)benzo[h]chromen-2-one?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one (CID 155532553) is 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one is O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccc3ccccc3c2o1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one?
The InChIKey is CFTPEOODFHQZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23-16-22(21-11-10-19-8-4-5-9-20(19)24(21)28-23)26-14-12-25(13-15-26)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one?
4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one is sourced from PubChem (CID 155532553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).