ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate

C25H26N2O6 — CID 16587229

IUPACethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C25H26N2O6/c1-2-32-25(31)17-11-13-26(14-12-17)22(28)16-33-23(29)15-27-20-9-5-3-7-18(20)24(30)19-8-4-6-10-21(19)27/h3-10,17H,2,11-16H2,1H3
InChIKeyZLXNUIVKVPYMSM-UHFFFAOYSA-N
MW450.49 g/mol
LogP2.50
Rot. Bonds6

About ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 16587229) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID16587229
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Nameethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1
InChIInChI=1S/C25H26N2O6/c1-2-32-25(31)17-11-13-26(14-12-17)22(28)16-33-23(29)15-27-20-9-5-3-7-18(20)24(30)19-8-4-6-10-21(19)27/h3-10,17H,2,11-16H2,1H3
InChIKeyZLXNUIVKVPYMSM-UHFFFAOYSA-N
XLogP2.50
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.50
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

ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55504842
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16587222
(2-morpholin-4-yl-2-oxoethyl) 2-(9-oxoacridin-10-yl)acetate
CID 2900544
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate
CID 16612578
ethyl 1-[2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetyl]piperidine-4-carboxylate
CID 46356947
ethyl 1-[2-[3-(3-methoxypropyl)-2,4-dioxoquinazolin-1-yl]acetyl]piperidine-4-carboxylate
CID 51046827
ethyl 1-[2-(1-hydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7891146
10-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]acridin-9-one
CID 33179862
ethyl 1-[2-[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 35776823
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
10-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]acridin-9-one;hydrochloride
CID 119544334
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 55442967

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate (CID 16587229) is ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is ZLXNUIVKVPYMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-2-32-25(31)17-11-13-26(14-12-17)22(28)16-33-23(29)15-27-20-9-5-3-7-18(20)24(30)19-8-4-6-10-21(19)27/h3-10,17H,2,11-16H2,1H3.
What are the key properties of ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 450.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 16587229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).