2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide

C22H28ClN3O — CID 9346590

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O/c1-2-7-21(18-8-4-3-5-9-18)24-22(27)17-25-12-14-26(15-13-25)20-11-6-10-19(23)16-20/h3-6,8-11,16,21H,2,7,12-15,17H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyAKBJMJOBHSAGNE-NRFANRHFSA-N
MW385.94 g/mol
LogP4.12
Rot. Bonds7

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide (PubChem CID 9346590) has the molecular formula C22H28ClN3O and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
PubChem CID9346590
Molecular FormulaC22H28ClN3O
Molecular Weight385.94 g/mol
Exact Mass385.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
SMILESCCC[C@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O/c1-2-7-21(18-8-4-3-5-9-18)24-22(27)17-25-12-14-26(15-13-25)20-11-6-10-19(23)16-20/h3-6,8-11,16,21H,2,7,12-15,17H2,1H3,(H,24,27)/t21-/m0/s1
InChIKeyAKBJMJOBHSAGNE-NRFANRHFSA-N
XLogP4.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide
CID 9346721
N-(1-phenylbutyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 17470308
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86868261
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 9347122
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8530025
2-(4-aminopiperidin-1-yl)-N-(1-phenylbutyl)acetamide
CID 79322712
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(1-phenylbutyl)acetamide
CID 110891594
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8529938
1-[2-oxo-2-(1-phenylbutylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 119904107
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide (CID 9346590) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide is CCC[C@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide?
The InChIKey is AKBJMJOBHSAGNE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28ClN3O/c1-2-7-21(18-8-4-3-5-9-18)24-22(27)17-25-12-14-26(15-13-25)20-11-6-10-19(23)16-20/h3-6,8-11,16,21H,2,7,12-15,17H2,1H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide has a molecular weight of 385.94 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-phenylbutyl]acetamide is sourced from PubChem (CID 9346590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).