ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate

C18H20N2O4 — CID 71690378

IUPACethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)20-11-9-19(10-12-20)17(21)15-7-5-14(6-8-15)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyMEBULQKUWGNXMP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.86
Rot. Bonds3

About ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate

ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate (PubChem CID 71690378) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
PubChem CID71690378
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C18H20N2O4/c1-2-23-18(22)20-11-9-19(10-12-20)17(21)15-7-5-14(6-8-15)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3
InChIKeyMEBULQKUWGNXMP-UHFFFAOYSA-N
XLogP2.86
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
[4-(furan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 174919196
[4-(furan-2-yl)phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 71690162
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
ethyl 4-(6-oxopyran-3-carbonyl)piperazine-1-carboxylate
CID 110697483
ethyl 4-[3-(furan-2-yl)-5-methyl-1H-pyrazole-4-carbonyl]piperazine-1-carboxylate
CID 110682300
[4-(furan-2-yl)phenyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 90653085
ethyl 4-[4-(dimethylamino)benzoyl]piperazine-1-carboxylate
CID 35508651
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97149202
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate (CID 71690378) is ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccco3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
The InChIKey is MEBULQKUWGNXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-18(22)20-11-9-19(10-12-20)17(21)15-7-5-14(6-8-15)16-4-3-13-24-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(furan-2-yl)benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 71690378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).