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

C21H24ClN3O2 — CID 35125248

IUPACN-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-2-16-3-5-17(6-4-16)21(27)25-13-11-24(12-14-25)15-20(26)23-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyAQGMIPIJRXDOBP-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.30
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 35125248) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
PubChem CID35125248
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClN3O2/c1-2-16-3-5-17(6-4-16)21(27)25-13-11-24(12-14-25)15-20(26)23-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyAQGMIPIJRXDOBP-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(4-ethylphenyl)acetamide
CID 9223540
N-[4-(difluoromethylsulfonyl)phenyl]-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 30872026
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55551039
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
CID 177160364
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46551652

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide (CID 35125248) is N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide is CCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is AQGMIPIJRXDOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-2-16-3-5-17(6-4-16)21(27)25-13-11-24(12-14-25)15-20(26)23-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35125248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).