N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide

C22H26ClN3O2 — CID 90767465

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-16(27)25-12-14-26(15-13-25)20-10-8-19(9-11-20)24-21(28)22(2,3)17-4-6-18(23)7-5-17/h4-11H,12-15H2,1-3H3,(H,24,28)
InChIKeyRWHMNCBTIJRAKF-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide (PubChem CID 90767465) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
PubChem CID90767465
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-16(27)25-12-14-26(15-13-25)20-10-8-19(9-11-20)24-21(28)22(2,3)17-4-6-18(23)7-5-17/h4-11H,12-15H2,1-3H3,(H,24,28)
InChIKeyRWHMNCBTIJRAKF-UHFFFAOYSA-N
XLogP3.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.92
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

2-methyl-2-(4-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 113198136
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-chlorobenzamide
CID 1140531
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527
1-(4-chlorophenyl)-3-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]urea
CID 1056376
2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
CID 17358413
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
4-chloro-N-[[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 17334098
2-(4-chlorophenyl)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55871199

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide (CID 90767465) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide is CC(=O)N1CCN(c2ccc(NC(=O)C(C)(C)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
The InChIKey is RWHMNCBTIJRAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16(27)25-12-14-26(15-13-25)20-10-8-19(9-11-20)24-21(28)22(2,3)17-4-6-18(23)7-5-17/h4-11H,12-15H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide has a molecular weight of 399.92 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 90767465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).