2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide

C23H26FN3O2 — CID 112994572

IUPAC2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O2/c24-21-10-4-8-20(16-21)17-22(28)25-18-23(29)27-14-12-26(13-15-27)11-5-9-19-6-2-1-3-7-19/h1-10,16H,11-15,17-18H2,(H,25,28)/b9-5+
InChIKeyNRQKWZYNUHGWSH-WEVVVXLNSA-N
MW395.48 g/mol
LogP2.34
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide

2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 112994572) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
PubChem CID112994572
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O2/c24-21-10-4-8-20(16-21)17-22(28)25-18-23(29)27-14-12-26(13-15-27)11-5-9-19-6-2-1-3-7-19/h1-10,16H,11-15,17-18H2,(H,25,28)/b9-5+
InChIKeyNRQKWZYNUHGWSH-WEVVVXLNSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 112994563
2-(2-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994571
2-(4-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994575
2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 51192228
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250956
N-[(3-methylphenyl)methyl]-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108945570
3,5-dimethoxy-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]benzamide
CID 2999114
2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
N-[2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55830425
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112994183

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide (CID 112994572) is 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide is O=C(Cc1cccc(F)c1)NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is NRQKWZYNUHGWSH-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-21-10-4-8-20(16-21)17-22(28)25-18-23(29)27-14-12-26(13-15-27)11-5-9-19-6-2-1-3-7-19/h1-10,16H,11-15,17-18H2,(H,25,28)/b9-5+.
What are the key properties of 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 112994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).