6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one

C22H24N2O4 — CID 6485174

IUPAC6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
SMILESCOc1ccc(N2CCN(Cc3cc(=O)oc4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-26-18-5-3-17(4-6-18)24-11-9-23(10-12-24)15-16-13-22(25)28-21-8-7-19(27-2)14-20(16)21/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyBAKPHQHIABKVIX-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.13
Rot. Bonds5

About 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one

6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one (PubChem CID 6485174) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
PubChem CID6485174
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
SMILESCOc1ccc(N2CCN(Cc3cc(=O)oc4ccc(OC)cc34)CC2)cc1
InChIInChI=1S/C22H24N2O4/c1-26-18-5-3-17(4-6-18)24-11-9-23(10-12-24)15-16-13-22(25)28-21-8-7-19(27-2)14-20(16)21/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyBAKPHQHIABKVIX-UHFFFAOYSA-N
XLogP3.13
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 8590683
6-ethyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 665648
6-methoxy-4-[[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6462906
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylchromen-2-one
CID 44561858
4-[[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]methyl]-6-methoxychromen-2-one
CID 46262763
4-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxychromen-2-one
CID 6463453
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
6-methoxy-4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]chromen-2-one
CID 177393399
7-methoxy-1-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2672032
4-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 87019513
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one?
The IUPAC name of 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one (CID 6485174) is 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one is COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(OC)cc34)CC2)cc1.
What is the InChIKey of 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one?
The InChIKey is BAKPHQHIABKVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-18-5-3-17(4-6-18)24-11-9-23(10-12-24)15-16-13-22(25)28-21-8-7-19(27-2)14-20(16)21/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one?
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one has a molecular weight of 380.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 6485174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).