N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide

C21H23N3O3 — CID 108949450

IUPACN-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-16(25)17-6-5-7-18(14-17)22-20(26)15-21(27)24-12-10-23(11-13-24)19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,22,26)
InChIKeyLXLFCUXLAPHCEE-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.57
Rot. Bonds5

About N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide

N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 108949450) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID108949450
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-16(25)17-6-5-7-18(14-17)22-20(26)15-21(27)24-12-10-23(11-13-24)19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,22,26)
InChIKeyLXLFCUXLAPHCEE-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
N-(3-acetylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 19654358
N-(3,4-dimethylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949408
N-(3-acetylphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950596
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
ethyl 4-[[3-oxo-3-(4-phenylpiperazin-1-yl)propanoyl]amino]benzoate
CID 108949464
N-[3-[[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]amino]phenyl]acetamide
CID 109027097
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
3-(3-acetylanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027274
methyl 3-[[3-(4-formylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944799
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide (CID 108949450) is N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide is CC(=O)c1cccc(NC(=O)CC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is LXLFCUXLAPHCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-16(25)17-6-5-7-18(14-17)22-20(26)15-21(27)24-12-10-23(11-13-24)19-8-3-2-4-9-19/h2-9,14H,10-13,15H2,1H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide?
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108949450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).