N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide

C20H22ClN3O2 — CID 113078225

IUPACN-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H22ClN3O2/c1-15(25)22-18-3-2-4-19(14-18)23-9-11-24(12-10-23)20(26)13-16-5-7-17(21)8-6-16/h2-8,14H,9-13H2,1H3,(H,22,25)
InChIKeyIESDSHFDBUTPDS-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.19
Rot. Bonds4

About N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 113078225) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
PubChem CID113078225
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H22ClN3O2/c1-15(25)22-18-3-2-4-19(14-18)23-9-11-24(12-10-23)20(26)13-16-5-7-17(21)8-6-16/h2-8,14H,9-13H2,1H3,(H,22,25)
InChIKeyIESDSHFDBUTPDS-UHFFFAOYSA-N
XLogP3.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-[3-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078232
2-chloro-N-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 19099535
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 9255560
2-(4-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 94826197
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
2-(3-bromophenyl)-1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 113076678

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide (CID 113078225) is N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is IESDSHFDBUTPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-15(25)22-18-3-2-4-19(14-18)23-9-11-24(12-10-23)20(26)13-16-5-7-17(21)8-6-16/h2-8,14H,9-13H2,1H3,(H,22,25).
What are the key properties of N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 371.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 113078225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).