N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide

C21H24ClN3O2 — CID 3161464

IUPACN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-15(2)20(26)23-17-8-9-19(18(22)14-17)24-10-12-25(13-11-24)21(27)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)
InChIKeyUYXIHDWPHLPSTG-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.90
Rot. Bonds4

About N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide (PubChem CID 3161464) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide
PubChem CID3161464
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C21H24ClN3O2/c1-15(2)20(26)23-17-8-9-19(18(22)14-17)24-10-12-25(13-11-24)21(27)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,26)
InChIKeyUYXIHDWPHLPSTG-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
CID 3338645
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]naphthalene-2-carboxamide
CID 17111820
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2,2-diphenylacetamide
CID 3462669
N-[4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]phenyl]-2-methylpropanamide
CID 55616659
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 17111823
N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-tert-butylbenzamide
CID 17317777
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-phenylacetamide
CID 979626
[4-(4-amino-2-chlorophenyl)piperazin-1-yl]-phenylmethanone
CID 805199
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-4-methyl-3-nitrobenzamide
CID 2084129
(E)-N-[[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 17116204
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586990

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide (CID 3161464) is N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide?
The InChIKey is UYXIHDWPHLPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(2)20(26)23-17-8-9-19(18(22)14-17)24-10-12-25(13-11-24)21(27)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide?
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide has a molecular weight of 385.90 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-methylpropanamide is sourced from PubChem (CID 3161464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).