[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C27H26FN3O4 — CID 27905464

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H26FN3O4/c28-23-8-4-5-9-24(23)30-14-16-31(17-15-30)25(32)19-35-26(33)18-29-27(34)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-13H,14-19H2,(H,29,34)
InChIKeyJHGDIOACBHNKAM-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.11
Rot. Bonds7

About [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 27905464) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID27905464
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H26FN3O4/c28-23-8-4-5-9-24(23)30-14-16-31(17-15-30)25(32)19-35-26(33)18-29-27(34)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-13H,14-19H2,(H,29,34)
InChIKeyJHGDIOACBHNKAM-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
ethyl 4-[2-[2-[(4-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 9114290
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 34370661
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 40726915
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 27905464) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is JHGDIOACBHNKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c28-23-8-4-5-9-24(23)30-14-16-31(17-15-30)25(32)19-35-26(33)18-29-27(34)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-13H,14-19H2,(H,29,34).
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 475.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 27905464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).