[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate

C25H24FN3O5 — CID 55547219

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
SMILESO=C(NC(C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1)c1ccco1
InChIInChI=1S/C25H24FN3O5/c26-19-9-4-5-10-20(19)28-12-14-29(15-13-28)22(30)17-34-25(32)23(18-7-2-1-3-8-18)27-24(31)21-11-6-16-33-21/h1-11,16,23H,12-15,17H2,(H,27,31)
InChIKeyZWWCYTNTBYJJAI-UHFFFAOYSA-N
MW465.48 g/mol
LogP2.78
Rot. Bonds7

About [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate

[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate (PubChem CID 55547219) has the molecular formula C25H24FN3O5 and a molecular weight of 465.48 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
PubChem CID55547219
Molecular FormulaC25H24FN3O5
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
SMILESO=C(NC(C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1)c1ccco1
InChIInChI=1S/C25H24FN3O5/c26-19-9-4-5-10-20(19)28-12-14-29(15-13-28)22(30)17-34-25(32)23(18-7-2-1-3-8-18)27-24(31)21-11-6-16-33-21/h1-11,16,23H,12-15,17H2,(H,27,31)
InChIKeyZWWCYTNTBYJJAI-UHFFFAOYSA-N
XLogP2.78
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846968
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 46666500
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 41271013
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 40726915
N-[(1S)-1-(benzenesulfonyl)-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 98173362
benzyl N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748952
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(furan-2-carbonylamino)acetate
CID 7824676
N-[2-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 6460180
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846976
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
N-[(1S)-2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173569

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate (CID 55547219) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate is O=C(NC(C(=O)OCC(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1)c1ccco1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
The InChIKey is ZWWCYTNTBYJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5/c26-19-9-4-5-10-20(19)28-12-14-29(15-13-28)22(30)17-34-25(32)23(18-7-2-1-3-8-18)27-24(31)21-11-6-16-33-21/h1-11,16,23H,12-15,17H2,(H,27,31).
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate has a molecular weight of 465.48 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate is sourced from PubChem (CID 55547219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).