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

C23H27N3O7S — CID 2999306

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H27N3O7S/c27-21(24-12-14-25(15-13-24)22(28)20-5-4-16-32-20)17-33-23(29)18-6-8-19(9-7-18)34(30,31)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17H2
InChIKeyZSQRVCOFFRLBDJ-UHFFFAOYSA-N
MW489.55 g/mol
LogP1.60
Rot. Bonds6

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

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate (PubChem CID 2999306) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
PubChem CID2999306
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H27N3O7S/c27-21(24-12-14-25(15-13-24)22(28)20-5-4-16-32-20)17-33-23(29)18-6-8-19(9-7-18)34(30,31)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17H2
InChIKeyZSQRVCOFFRLBDJ-UHFFFAOYSA-N
XLogP1.60
TPSA117.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate (CID 2999306) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
The InChIKey is ZSQRVCOFFRLBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c27-21(24-12-14-25(15-13-24)22(28)20-5-4-16-32-20)17-33-23(29)18-6-8-19(9-7-18)34(30,31)26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate has a molecular weight of 489.55 g/mol, XLogP of 1.60, 6 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] 4-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2999306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).