ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate

C24H24N2O4 — CID 2833930

IUPACethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-30-24(29)16-10-12-17(13-11-16)25-20-21(26-14-6-3-7-15-26)23(28)19-9-5-4-8-18(19)22(20)27/h4-5,8-13,25H,2-3,6-7,14-15H2,1H3
InChIKeyUWIXADNGHYIJAX-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.05
Rot. Bonds5

About ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate

ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate (PubChem CID 2833930) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate
PubChem CID2833930
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-30-24(29)16-10-12-17(13-11-16)25-20-21(26-14-6-3-7-15-26)23(28)19-9-5-4-8-18(19)22(20)27/h4-5,8-13,25H,2-3,6-7,14-15H2,1H3
InChIKeyUWIXADNGHYIJAX-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate?
The IUPAC name of ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate (CID 2833930) is ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate is CCOC(=O)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate?
The InChIKey is UWIXADNGHYIJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-30-24(29)16-10-12-17(13-11-16)25-20-21(26-14-6-3-7-15-26)23(28)19-9-5-4-8-18(19)22(20)27/h4-5,8-13,25H,2-3,6-7,14-15H2,1H3.
What are the key properties of ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate?
ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate has a molecular weight of 404.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)amino]benzoate is sourced from PubChem (CID 2833930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).