N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

C27H28FN3O2 — CID 29200300

IUPACN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3O2/c28-24-13-11-23(12-14-24)26(32)29-15-16-30-17-19-31(20-18-30)27(33)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,32)
InChIKeyUIKZPSAVUDQTLX-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.53
Rot. Bonds7

About N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide

N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (PubChem CID 29200300) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
PubChem CID29200300
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
SMILESO=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3O2/c28-24-13-11-23(12-14-24)26(32)29-15-16-30-17-19-31(20-18-30)27(33)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,32)
InChIKeyUIKZPSAVUDQTLX-UHFFFAOYSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide
CID 44962537
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]acetamide
CID 70630292
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200156

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide (CID 29200300) is N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is O=C(NCCN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
The InChIKey is UIKZPSAVUDQTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-24-13-11-23(12-14-24)26(32)29-15-16-30-17-19-31(20-18-30)27(33)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H,29,32).
What are the key properties of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide?
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide has a molecular weight of 445.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 29200300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).