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

C24H22N2O3 — CID 155557580

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
SMILESCOc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1
InChIInChI=1S/C24H22N2O3/c1-28-22-9-5-4-8-20(22)25-12-14-26(15-13-25)21-16-23(27)29-24-18-7-3-2-6-17(18)10-11-19(21)24/h2-11,16H,12-15H2,1H3
InChIKeyMHGFTQZOXGMQAZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.28
Rot. Bonds3

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one (PubChem CID 155557580) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
PubChem CID155557580
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one
SMILESCOc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1
InChIInChI=1S/C24H22N2O3/c1-28-22-9-5-4-8-20(22)25-12-14-26(15-13-25)21-16-23(27)29-24-18-7-3-2-6-17(18)10-11-19(21)24/h2-11,16H,12-15H2,1H3
InChIKeyMHGFTQZOXGMQAZ-UHFFFAOYSA-N
XLogP4.28
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.28
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

4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
CID 155532553
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
CID 19132811
4-[(4-phenylpiperazin-1-yl)methyl]benzo[h]chromen-2-one
CID 3784957
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029
6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
CID 2078040
N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
CID 72715202
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 2653842
10-methoxyphenanthro[3,4-g]chromen-12-one
CID 101416332
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
CID 56971557
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 663361

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one (CID 155557580) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one is COc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
The InChIKey is MHGFTQZOXGMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-22-9-5-4-8-20(22)25-12-14-26(15-13-25)21-16-23(27)29-24-18-7-3-2-6-17(18)10-11-19(21)24/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one?
4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one has a molecular weight of 386.45 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[h]chromen-2-one is sourced from PubChem (CID 155557580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).