2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one

C25H22N2O4 — CID 19132811

IUPAC2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1
InChIInChI=1S/C25H22N2O4/c1-30-23-9-5-4-8-21(23)26-12-14-27(15-13-26)24(28)20-16-19-18-7-3-2-6-17(18)10-11-22(19)31-25(20)29/h2-11,16H,12-15H2,1H3
InChIKeyZTPKYNARBJSDML-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.92
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one (PubChem CID 19132811) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
PubChem CID19132811
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1
InChIInChI=1S/C25H22N2O4/c1-30-23-9-5-4-8-21(23)26-12-14-27(15-13-26)24(28)20-16-19-18-7-3-2-6-17(18)10-11-22(19)31-25(20)29/h2-11,16H,12-15H2,1H3
InChIKeyZTPKYNARBJSDML-UHFFFAOYSA-N
XLogP3.92
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-bromo-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]chromen-2-one
CID 1043849
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1-(3-oxobenzo[f]chromene-2-carbonyl)piperidine-4-carboxamide
CID 19132814
3-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]chromen-2-one
CID 171385899
(5-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 986583
4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863949
N-[4-[4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 19132942
4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155557580
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
1-dibenzofuran-2-yl-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 5124035
(7-chloroisoquinolin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 134091245

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one (CID 19132811) is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one is COc1ccccc1N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one?
The InChIKey is ZTPKYNARBJSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-30-23-9-5-4-8-21(23)26-12-14-27(15-13-26)24(28)20-16-19-18-7-3-2-6-17(18)10-11-22(19)31-25(20)29/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one?
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one has a molecular weight of 414.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one is sourced from PubChem (CID 19132811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).