ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate

C23H24N2O7 — CID 42654896

IUPACethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C23H24N2O7/c1-4-30-21(27)9-17-22(28)24-5-6-25(17)20(26)8-16-13(3)15-7-14-12(2)11-31-18(14)10-19(15)32-23(16)29/h7,10-11,17H,4-6,8-9H2,1-3H3,(H,24,28)
InChIKeyDEQCDKQGQNKASV-UHFFFAOYSA-N
MW440.45 g/mol
LogP1.98
Rot. Bonds5

About ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate

ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 42654896) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID42654896
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Nameethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCCOC(=O)CC1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O
InChIInChI=1S/C23H24N2O7/c1-4-30-21(27)9-17-22(28)24-5-6-25(17)20(26)8-16-13(3)15-7-14-12(2)11-31-18(14)10-19(15)32-23(16)29/h7,10-11,17H,4-6,8-9H2,1-3H3,(H,24,28)
InChIKeyDEQCDKQGQNKASV-UHFFFAOYSA-N
XLogP1.98
TPSA119.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate (CID 42654896) is ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate is CCOC(=O)CC1C(=O)NCCN1C(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O.
What is the InChIKey of ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is DEQCDKQGQNKASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-4-30-21(27)9-17-22(28)24-5-6-25(17)20(26)8-16-13(3)15-7-14-12(2)11-31-18(14)10-19(15)32-23(16)29/h7,10-11,17H,4-6,8-9H2,1-3H3,(H,24,28).
What are the key properties of ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate?
ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 440.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 42654896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).