2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

C20H24ClN3O — CID 6464684

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O/c1-16(17-5-3-2-4-6-17)22-20(25)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h2-10,16H,11-15H2,1H3,(H,22,25)
InChIKeyQHCIXSCIEIAQHD-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 6464684) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID6464684
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O/c1-16(17-5-3-2-4-6-17)22-20(25)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h2-10,16H,11-15H2,1H3,(H,22,25)
InChIKeyQHCIXSCIEIAQHD-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 42269040
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 51284732
N-(1-phenylethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199208
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 6464684) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is QHCIXSCIEIAQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-16(17-5-3-2-4-6-17)22-20(25)15-23-11-13-24(14-12-23)19-9-7-18(21)8-10-19/h2-10,16H,11-15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 357.89 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 6464684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).