2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

C20H23Cl2N3O — CID 22198819

IUPAC2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H23Cl2N3O/c1-15(16-5-3-2-4-6-16)23-20(26)14-24-9-11-25(12-10-24)17-7-8-18(21)19(22)13-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyRMFRIXICXGIWCF-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.99
Rot. Bonds5

About 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide

2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 22198819) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID22198819
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C20H23Cl2N3O/c1-15(16-5-3-2-4-6-16)23-20(26)14-24-9-11-25(12-10-24)17-7-8-18(21)19(22)13-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)
InChIKeyRMFRIXICXGIWCF-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
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-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687289
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
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-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 55682200
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
CID 7085144
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide (CID 22198819) is 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is RMFRIXICXGIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-15(16-5-3-2-4-6-16)23-20(26)14-24-9-11-25(12-10-24)17-7-8-18(21)19(22)13-17/h2-8,13,15H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide?
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 392.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 22198819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).