2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide

C19H20ClN3O2 — CID 44892193

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClN3O2/c20-16-8-4-5-9-17(16)21-18(24)19(25)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyTYGSFFTXJCYVCM-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.62
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide

2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide (PubChem CID 44892193) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
PubChem CID44892193
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide
SMILESO=C(Nc1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClN3O2/c20-16-8-4-5-9-17(16)21-18(24)19(25)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24)
InChIKeyTYGSFFTXJCYVCM-UHFFFAOYSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 44902185
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-3-oxopropanamide
CID 108949335
2-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)-2-oxoacetamide
CID 44902603
2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108516948
2-(4-benzylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide
CID 44901961
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
ethyl 4-[2-(2-chloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108500387
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
CID 44999265
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
2-(4-benzylpiperazin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108513856
N-(2-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902668

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide (CID 44892193) is 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide is O=C(Nc1ccccc1Cl)C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide?
The InChIKey is TYGSFFTXJCYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-8-4-5-9-17(16)21-18(24)19(25)23-12-10-22(11-13-23)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,24).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide?
2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide has a molecular weight of 357.84 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-2-oxoacetamide is sourced from PubChem (CID 44892193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).