[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

C28H27N3O5 — CID 16612578

IUPAC[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccccc1N1CCN(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C28H27N3O5/c1-35-25-13-7-6-12-24(25)29-14-16-30(17-15-29)26(32)19-36-27(33)18-31-22-10-4-2-8-20(22)28(34)21-9-3-5-11-23(21)31/h2-13H,14-19H2,1H3
InChIKeyXBBZBQNTXGQADO-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.06
Rot. Bonds6

About [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (PubChem CID 16612578) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.

Molecular Properties

Compound Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
PubChem CID16612578
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
SMILESCOc1ccccc1N1CCN(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C28H27N3O5/c1-35-25-13-7-6-12-24(25)29-14-16-30(17-15-29)26(32)19-36-27(33)18-31-22-10-4-2-8-20(22)28(34)21-9-3-5-11-23(21)31/h2-13H,14-19H2,1H3
InChIKeyXBBZBQNTXGQADO-UHFFFAOYSA-N
XLogP3.06
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 2-(9-oxoacridin-10-yl)acetate
CID 2900544
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 9201217
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808332
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-amino-10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]acridin-9-one
CID 162655292
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587482
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-3-carboxylate
CID 26985539
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 9202770

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The IUPAC name of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate (CID 16612578) is [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate.
What is the SMILES notation for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The canonical SMILES for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is COc1ccccc1N1CCN(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
The InChIKey is XBBZBQNTXGQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-35-25-13-7-6-12-24(25)29-14-16-30(17-15-29)26(32)19-36-27(33)18-31-22-10-4-2-8-20(22)28(34)21-9-3-5-11-23(21)31/h2-13H,14-19H2,1H3.
What are the key properties of [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate?
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate has a molecular weight of 485.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate is sourced from PubChem (CID 16612578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).