[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate

C18H18N2O6 — CID 2388350

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O6/c21-14-5-3-13(4-6-14)18(24)26-12-16(22)19-7-9-20(10-8-19)17(23)15-2-1-11-25-15/h1-6,11,21H,7-10,12H2
InChIKeyXUUGQYUYLNMOCN-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.13
Rot. Bonds4

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate (PubChem CID 2388350) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
PubChem CID2388350
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(O)cc1
InChIInChI=1S/C18H18N2O6/c21-14-5-3-13(4-6-14)18(24)26-12-16(22)19-7-9-20(10-8-19)17(23)15-2-1-11-25-15/h1-6,11,21H,7-10,12H2
InChIKeyXUUGQYUYLNMOCN-UHFFFAOYSA-N
XLogP1.13
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 16527643
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2391518
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501305
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316129
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate
CID 2419646
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737584
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519893
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate (CID 2388350) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(O)cc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate?
The InChIKey is XUUGQYUYLNMOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c21-14-5-3-13(4-6-14)18(24)26-12-16(22)19-7-9-20(10-8-19)17(23)15-2-1-11-25-15/h1-6,11,21H,7-10,12H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate has a molecular weight of 358.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 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] 4-hydroxybenzoate is sourced from PubChem (CID 2388350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).