N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide

C22H27N3O2 — CID 110615118

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CCc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17-3-5-19(6-4-17)7-12-22(27)23-20-8-10-21(11-9-20)25-15-13-24(14-16-25)18(2)26/h3-6,8-11H,7,12-16H2,1-2H3,(H,23,27)
InChIKeyVUYLIBLDLLWUQC-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds5

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide (PubChem CID 110615118) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
PubChem CID110615118
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CCc3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17-3-5-19(6-4-17)7-12-22(27)23-20-8-10-21(11-9-20)25-15-13-24(14-16-25)18(2)26/h3-6,8-11H,7,12-16H2,1-2H3,(H,23,27)
InChIKeyVUYLIBLDLLWUQC-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
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-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110673093
3-(4-methylphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]propanamide
CID 110615443
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
CID 110406316
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
3-(4-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 37154032
N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-3-phenylpropanamide
CID 42767096

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide (CID 110615118) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide is CC(=O)N1CCN(c2ccc(NC(=O)CCc3ccc(C)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide?
The InChIKey is VUYLIBLDLLWUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-3-5-19(6-4-17)7-12-22(27)23-20-8-10-21(11-9-20)25-15-13-24(14-16-25)18(2)26/h3-6,8-11H,7,12-16H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(4-methylphenyl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.23, 5 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]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110615118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).