N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide

C22H27N3O2 — CID 110406324

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)C(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(16-19-6-4-3-5-7-19)22(27)23-20-8-10-21(11-9-20)25-14-12-24(13-15-25)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27)
InChIKeyDSPVMUCWZWZGDI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.17
Rot. Bonds5

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide (PubChem CID 110406324) 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]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
PubChem CID110406324
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)C(C)Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(16-19-6-4-3-5-7-19)22(27)23-20-8-10-21(11-9-20)25-14-12-24(13-15-25)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27)
InChIKeyDSPVMUCWZWZGDI-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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]acetamide
CID 2889550
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
3-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(carboxyamino)propanoic acid
CID 170451593
2-[2-[4-(4-acetylpiperazin-1-yl)anilino]-2-oxoethyl]benzoic acid
CID 56761664
N-[4-(4-acetylpiperazin-1-yl)phenyl]propanamide
CID 711710
4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113107336
(2S)-2-benzylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 52646335
methyl 4-[[(2R)-2-methyl-3-phenylpropanoyl]amino]benzoate
CID 160724491
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 110369681
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide (CID 110406324) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide is CC(=O)N1CCN(c2ccc(NC(=O)C(C)Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide?
The InChIKey is DSPVMUCWZWZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(16-19-6-4-3-5-7-19)22(27)23-20-8-10-21(11-9-20)25-14-12-24(13-15-25)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methyl-3-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 3.17, 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]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 110406324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).