N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide

C25H26FN3O2 — CID 46561400

IUPACN-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCOc1cccc(N2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)c1
InChIInChI=1S/C25H26FN3O2/c1-31-23-9-5-8-22(18-23)28-14-16-29(17-15-28)24(19-6-3-2-4-7-19)25(30)27-21-12-10-20(26)11-13-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)
InChIKeyFJQPRTCQAALXJG-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.34
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide

N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 46561400) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID46561400
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
SMILESCOc1cccc(N2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)c1
InChIInChI=1S/C25H26FN3O2/c1-31-23-9-5-8-22(18-23)28-14-16-29(17-15-28)24(19-6-3-2-4-7-19)25(30)27-21-12-10-20(26)11-13-21/h2-13,18,24H,14-17H2,1H3,(H,27,30)
InChIKeyFJQPRTCQAALXJG-UHFFFAOYSA-N
XLogP4.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 31377197
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide
CID 86894407
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide (CID 46561400) is N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide is COc1cccc(N2CCN(C(C(=O)Nc3ccc(F)cc3)c3ccccc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FJQPRTCQAALXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-31-23-9-5-8-22(18-23)28-14-16-29(17-15-28)24(19-6-3-2-4-7-19)25(30)27-21-12-10-20(26)11-13-21/h2-13,18,24H,14-17H2,1H3,(H,27,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide?
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 419.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 46561400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).