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

C22H27N3O2 — CID 110673093

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17-4-3-5-19(16-17)6-11-22(27)23-20-7-9-21(10-8-20)25-14-12-24(13-15-25)18(2)26/h3-5,7-10,16H,6,11-15H2,1-2H3,(H,23,27)
InChIKeyNFVSFEXBWZVCGJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds5

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

N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide (PubChem CID 110673093) 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-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
PubChem CID110673093
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17-4-3-5-19(16-17)6-11-22(27)23-20-7-9-21(10-8-20)25-14-12-24(13-15-25)18(2)26/h3-5,7-10,16H,6,11-15H2,1-2H3,(H,23,27)
InChIKeyNFVSFEXBWZVCGJ-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-(4-methylphenyl)propanamide
CID 110615118
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 90595766
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide
CID 110673094
N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]nonanamide
CID 3935359
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methylphenyl)propanamide
CID 110666879
2-methoxy-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057943
N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110368212
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
3-(3-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 28713584
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 1055921
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide (CID 110673093) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide is CC(=O)N1CCN(c2ccc(NC(=O)CCc3cccc(C)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
The InChIKey is NFVSFEXBWZVCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-4-3-5-19(16-17)6-11-22(27)23-20-7-9-21(10-8-20)25-14-12-24(13-15-25)18(2)26/h3-5,7-10,16H,6,11-15H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methylphenyl)propanamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(3-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-(3-methylphenyl)propanamide is sourced from PubChem (CID 110673093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).