N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide

C27H28FN3O2 — CID 55682732

IUPACN-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(Cc1ccc(F)cc1)N1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28FN3O2/c28-24-13-11-22(12-14-24)19-26(32)30-17-15-29(16-18-30)21-27(33)31(25-9-5-2-6-10-25)20-23-7-3-1-4-8-23/h1-14H,15-21H2
InChIKeySRTHUUYIVWLNSD-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.75
Rot. Bonds7

About N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide

N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 55682732) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID55682732
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC NameN-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
SMILESO=C(Cc1ccc(F)cc1)N1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28FN3O2/c28-24-13-11-22(12-14-24)19-26(32)30-17-15-29(16-18-30)21-27(33)31(25-9-5-2-6-10-25)20-23-7-3-1-4-8-23/h1-14H,15-21H2
InChIKeySRTHUUYIVWLNSD-UHFFFAOYSA-N
XLogP3.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336589
N-benzyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-phenylacetamide
CID 52659816
N-benzyl-2-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24596417
2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
N-carbamoyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404315
2-(4-fluorophenyl)-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30857695
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46046668

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide (CID 55682732) is N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide is O=C(Cc1ccc(F)cc1)N1CCN(CC(=O)N(Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is SRTHUUYIVWLNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-24-13-11-22(12-14-24)19-26(32)30-17-15-29(16-18-30)21-27(33)31(25-9-5-2-6-10-25)20-23-7-3-1-4-8-23/h1-14H,15-21H2.
What are the key properties of N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide?
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 445.54 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 55682732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).