ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate

C18H20N2O4 — CID 110672918

IUPACethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)14-5-7-15(8-6-14)19-9-11-20(12-10-19)17(21)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyBRSIBGBFHBHGML-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.42
Rot. Bonds4

About ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate

ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate (PubChem CID 110672918) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
PubChem CID110672918
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)14-5-7-15(8-6-14)19-9-11-20(12-10-19)17(21)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyBRSIBGBFHBHGML-UHFFFAOYSA-N
XLogP2.42
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-(4-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079814
ethyl 4-[4-(2-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079812
ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
ethyl 1-(2-chlorophenyl)-5-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]pyrazole-3-carboxylate
CID 46085923
ethyl 4-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamoylamino]benzoate
CID 42767164
ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46091300
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 3161566
[4-(6-amino-5-methyl-3-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 83970287
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 3161569

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate (CID 110672918) is ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate?
The InChIKey is BRSIBGBFHBHGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-18(22)14-5-7-15(8-6-14)19-9-11-20(12-10-19)17(21)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate?
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 110672918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).