[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate

C25H23ClN2O6 — CID 2997846

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O6/c26-19-9-7-18(8-10-19)16-33-21-5-2-1-4-20(21)25(31)34-17-23(29)27-11-13-28(14-12-27)24(30)22-6-3-15-32-22/h1-10,15H,11-14,16-17H2
InChIKeyKTEBPSGHRONEGH-UHFFFAOYSA-N
MW482.92 g/mol
LogP3.65
Rot. Bonds7

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 2997846) has the molecular formula C25H23ClN2O6 and a molecular weight of 482.92 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
PubChem CID2997846
Molecular FormulaC25H23ClN2O6
Molecular Weight482.92 g/mol
Exact Mass482.12
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C25H23ClN2O6/c26-19-9-7-18(8-10-19)16-33-21-5-2-1-4-20(21)25(31)34-17-23(29)27-11-13-28(14-12-27)24(30)22-6-3-15-32-22/h1-10,15H,11-14,16-17H2
InChIKeyKTEBPSGHRONEGH-UHFFFAOYSA-N
XLogP3.65
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate (CID 2997846) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is KTEBPSGHRONEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O6/c26-19-9-7-18(8-10-19)16-33-21-5-2-1-4-20(21)25(31)34-17-23(29)27-11-13-28(14-12-27)24(30)22-6-3-15-32-22/h1-10,15H,11-14,16-17H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 482.92 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 2997846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).