N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

C22H26ClN3O2 — CID 108503569

IUPACN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-17(2)26(16-18-7-4-3-5-8-18)22(28)21(27)25-13-11-24(12-14-25)20-10-6-9-19(23)15-20/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyWWGKJSWLAFFZAP-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.43
Rot. Bonds4

About N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide

N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 108503569) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
PubChem CID108503569
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-17(2)26(16-18-7-4-3-5-8-18)22(28)21(27)25-13-11-24(12-14-25)20-10-6-9-19(23)15-20/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyWWGKJSWLAFFZAP-UHFFFAOYSA-N
XLogP3.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.43
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]-N-methyl-2-oxoacetamide
CID 108518852
N-benzyl-2-oxo-N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108503615
N-benzyl-2-(4-benzylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503370
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115179
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
(3S)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 7317261
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 39073793
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
N-benzyl-4-bromo-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126070627
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348298

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide (CID 108503569) is N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is WWGKJSWLAFFZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-17(2)26(16-18-7-4-3-5-8-18)22(28)21(27)25-13-11-24(12-14-25)20-10-6-9-19(23)15-20/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide?
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 399.92 g/mol, XLogP of 3.43, 4 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]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 108503569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).