2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide

C18H20ClN3O — CID 6467969

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C18H20ClN3O/c19-15-5-4-8-17(13-15)22-11-9-21(10-12-22)14-18(23)20-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,20,23)
InChIKeyXRWCIGPHBBFRTA-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.10
Rot. Bonds4

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 6467969) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID6467969
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C18H20ClN3O/c19-15-5-4-8-17(13-15)22-11-9-21(10-12-22)14-18(23)20-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,20,23)
InChIKeyXRWCIGPHBBFRTA-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2453681
4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 27157023
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2654914

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide (CID 6467969) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide is O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is XRWCIGPHBBFRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-5-4-8-17(13-15)22-11-9-21(10-12-22)14-18(23)20-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,20,23).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 329.83 g/mol, XLogP of 3.10, 4 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-phenylacetamide is sourced from PubChem (CID 6467969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).