N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C22H26FN3O — CID 18084912

IUPACN-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c1-18-9-10-20(23)16-21(18)24-22(27)17-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16H,11-15,17H2,1H3,(H,24,27)/b8-5+
InChIKeyUXTACFCGUJWGCX-VMPITWQZSA-N
MW367.47 g/mol
LogP3.40
Rot. Bonds6

About N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 18084912) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID18084912
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H26FN3O/c1-18-9-10-20(23)16-21(18)24-22(27)17-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16H,11-15,17H2,1H3,(H,24,27)/b8-5+
InChIKeyUXTACFCGUJWGCX-VMPITWQZSA-N
XLogP3.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 6470321
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 109004517
N-naphthalen-1-yl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544886
N-[2-(difluoromethylsulfanyl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8549272
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
N-(2,6-dimethylphenyl)-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8544535
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565235
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetamide
CID 4916839
N-(2,5-difluorophenyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6214863
N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719829

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 18084912) is N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is Cc1ccc(F)cc1NC(=O)CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is UXTACFCGUJWGCX-VMPITWQZSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-18-9-10-20(23)16-21(18)24-22(27)17-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16H,11-15,17H2,1H3,(H,24,27)/b8-5+.
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 18084912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).