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

C27H26FN3O4 — CID 46666500

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(NC(C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26FN3O4/c28-22-11-13-23(14-12-22)30-15-17-31(18-16-30)24(32)19-35-27(34)25(20-7-3-1-4-8-20)29-26(33)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,29,33)
InChIKeyCMMDNFYLQYLVML-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.19
Rot. Bonds7

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

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate (PubChem CID 46666500) has the molecular formula C27H26FN3O4 and a molecular weight of 475.52 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate
PubChem CID46666500
Molecular FormulaC27H26FN3O4
Molecular Weight475.52 g/mol
Exact Mass475.19
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(NC(C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26FN3O4/c28-22-11-13-23(14-12-22)30-15-17-31(18-16-30)24(32)19-35-27(34)25(20-7-3-1-4-8-20)29-26(33)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,29,33)
InChIKeyCMMDNFYLQYLVML-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 4660034
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
CID 55547219
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 42898609
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 7259287
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3,5-difluorobenzoate
CID 7990009
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 7376508
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31228874
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-chlorobenzoate
CID 7378652
N-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 7774557

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate (CID 46666500) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate is O=C(NC(C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate?
The InChIKey is CMMDNFYLQYLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O4/c28-22-11-13-23(14-12-22)30-15-17-31(18-16-30)24(32)19-35-27(34)25(20-7-3-1-4-8-20)29-26(33)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,29,33).
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate has a molecular weight of 475.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-benzamido-2-phenylacetate is sourced from PubChem (CID 46666500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).