ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C20H21N3O6 — CID 655869

IUPACethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O6/c1-2-27-20(26)15-12-17-14(5-11-29-17)23(15)13-18(24)21-6-8-22(9-7-21)19(25)16-4-3-10-28-16/h3-5,10-12H,2,6-9,13H2,1H3
InChIKeySKRFORRMPJTMEZ-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.99
Rot. Bonds5

About ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 655869) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID655869
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Nameethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H21N3O6/c1-2-27-20(26)15-12-17-14(5-11-29-17)23(15)13-18(24)21-6-8-22(9-7-21)19(25)16-4-3-10-28-16/h3-5,10-12H,2,6-9,13H2,1H3
InChIKeySKRFORRMPJTMEZ-UHFFFAOYSA-N
XLogP1.99
TPSA98.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 655869) is ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is SKRFORRMPJTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-2-27-20(26)15-12-17-14(5-11-29-17)23(15)13-18(24)21-6-8-22(9-7-21)19(25)16-4-3-10-28-16/h3-5,10-12H,2,6-9,13H2,1H3.
What are the key properties of ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 399.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 655869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).