[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C23H28N2O7 — CID 29316129

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC
InChIInChI=1S/C23H28N2O7/c1-3-13-30-18-8-7-17(15-20(18)29-4-2)23(28)32-16-21(26)24-9-11-25(12-10-24)22(27)19-6-5-14-31-19/h5-8,14-15H,3-4,9-13,16H2,1-2H3
InChIKeyQRAHLSWJTAWTQA-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.61
Rot. Bonds9

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 29316129) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID29316129
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC
InChIInChI=1S/C23H28N2O7/c1-3-13-30-18-8-7-17(15-20(18)29-4-2)23(28)32-16-21(26)24-9-11-25(12-10-24)22(27)19-6-5-14-31-19/h5-8,14-15H,3-4,9-13,16H2,1-2H3
InChIKeyQRAHLSWJTAWTQA-UHFFFAOYSA-N
XLogP2.61
TPSA98.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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] 4-hydroxybenzoate
CID 2388350
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
[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] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737584
[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] 2,5-dimethylbenzoate
CID 2519893
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556770
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
2-[4-(3-ethoxy-4-propoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376290
[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] thiophene-2-carboxylate
CID 2355144

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 29316129) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is QRAHLSWJTAWTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7/c1-3-13-30-18-8-7-17(15-20(18)29-4-2)23(28)32-16-21(26)24-9-11-25(12-10-24)22(27)19-6-5-14-31-19/h5-8,14-15H,3-4,9-13,16H2,1-2H3.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 444.48 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 29316129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).