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

C24H22N2O2 — CID 3784957

IUPAC4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C24H22N2O2/c27-23-16-19(22-11-10-18-6-4-5-9-21(18)24(22)28-23)17-25-12-14-26(15-13-25)20-7-2-1-3-8-20/h1-11,16H,12-15,17H2
InChIKeyOCUGLOILZDTMAD-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.27
Rot. Bonds3

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

4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one (PubChem CID 3784957) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
PubChem CID3784957
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
SMILESO=c1cc(CN2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1
InChIInChI=1S/C24H22N2O2/c27-23-16-19(22-11-10-18-6-4-5-9-21(18)24(22)28-23)17-25-12-14-26(15-13-25)20-7-2-1-3-8-20/h1-11,16H,12-15,17H2
InChIKeyOCUGLOILZDTMAD-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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Related Compounds

7,8-dimethyl-4-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one
CID 2044963
4-[(4-benzhydrylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
CID 3331670
4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
CID 155532553
1-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzo[f]chromen-3-one
CID 8689958
4-[4-(4-chlorophenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155513549
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
CID 2099268
4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one
CID 31270944
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174
4-[(4-benzhydrylpiperazin-1-yl)methyl]-7,8-dimethylchromen-2-one
CID 2450878
4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155557580
1-[(4-benzylsulfonylpiperazin-1-yl)methyl]benzo[f]chromen-3-one
CID 38813999
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one?
The IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one (CID 3784957) is 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one.
What is the SMILES notation for 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one?
The canonical SMILES for 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one is O=c1cc(CN2CCN(c3ccccc3)CC2)c2ccc3ccccc3c2o1.
What is the InChIKey of 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one?
The InChIKey is OCUGLOILZDTMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-23-16-19(22-11-10-18-6-4-5-9-21(18)24(22)28-23)17-25-12-14-26(15-13-25)20-7-2-1-3-8-20/h1-11,16H,12-15,17H2.
What are the key properties of 4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one?
4-[(4-phenylpiperazin-1-yl)methyl]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-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one is sourced from PubChem (CID 3784957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).