N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide

C20H22ClN3O2 — CID 108518852

IUPACN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-22(15-16-6-3-2-4-7-16)19(25)20(26)24-12-10-23(11-13-24)18-9-5-8-17(21)14-18/h2-9,14H,10-13,15H2,1H3
InChIKeyWRACVPGQRFIULZ-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.65
Rot. Bonds3

About N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide

N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide (PubChem CID 108518852) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
PubChem CID108518852
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-22(15-16-6-3-2-4-7-16)19(25)20(26)24-12-10-23(11-13-24)18-9-5-8-17(21)14-18/h2-9,14H,10-13,15H2,1H3
InChIKeyWRACVPGQRFIULZ-UHFFFAOYSA-N
XLogP2.65
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 108503569
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108975522
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-[4-[(dimethylamino)methyl]phenyl]butane-1,4-dione
CID 121448930
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108524936
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide?
The IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide (CID 108518852) is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide is CN(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide?
The InChIKey is WRACVPGQRFIULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-22(15-16-6-3-2-4-7-16)19(25)20(26)24-12-10-23(11-13-24)18-9-5-8-17(21)14-18/h2-9,14H,10-13,15H2,1H3.
What are the key properties of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide?
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide has a molecular weight of 371.87 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108518852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).