[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate

C22H21N3O4 — CID 38212425

IUPAC[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1occc1-c1ccccc1
InChIInChI=1S/C22H21N3O4/c26-20(25-13-11-24(12-14-25)19-8-4-5-10-23-19)16-29-22(27)21-18(9-15-28-21)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2
InChIKeyOWVKQPLEHLHIHH-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.85
Rot. Bonds5

About [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate (PubChem CID 38212425) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate
PubChem CID38212425
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate
SMILESO=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1occc1-c1ccccc1
InChIInChI=1S/C22H21N3O4/c26-20(25-13-11-24(12-14-25)19-8-4-5-10-23-19)16-29-22(27)21-18(9-15-28-21)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2
InChIKeyOWVKQPLEHLHIHH-UHFFFAOYSA-N
XLogP2.85
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(5-phenyl-1,3-oxazol-2-yl)benzoate
CID 38167689
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] anthracene-9-carboxylate
CID 27012435
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
CID 27027908
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8848588
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16570188
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 2953997
2-hydroxyethyl 4-pyridin-2-ylpiperazine-1-carboxylate
CID 79346353
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate (CID 38212425) is [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate is O=C(OCC(=O)N1CCN(c2ccccn2)CC1)c1occc1-c1ccccc1.
What is the InChIKey of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate?
The InChIKey is OWVKQPLEHLHIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-20(25-13-11-24(12-14-25)19-8-4-5-10-23-19)16-29-22(27)21-18(9-15-28-21)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2.
What are the key properties of [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate?
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-phenylfuran-2-carboxylate is sourced from PubChem (CID 38212425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).