N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide

C23H29N3O3 — CID 3287897

IUPACN-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-6-23(28)26-15-13-25(14-16-26)20-11-9-19(10-12-20)24-22(27)17-29-21-8-5-4-7-18(21)2/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,27)
InChIKeyWSVIRYNMKBHBGZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.46
Rot. Bonds7

About N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 3287897) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID3287897
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-6-23(28)26-15-13-25(14-16-26)20-11-9-19(10-12-20)24-22(27)17-29-21-8-5-4-7-18(21)2/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,27)
InChIKeyWSVIRYNMKBHBGZ-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 2984231
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 2969652
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 3161569
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17111736
2-(2,4-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 979705
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 6461848
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
CID 1090215
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17111731
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 17335308

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 3287897) is N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide is CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3C)cc2)CC1.
What is the InChIKey of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is WSVIRYNMKBHBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-6-23(28)26-15-13-25(14-16-26)20-11-9-19(10-12-20)24-22(27)17-29-21-8-5-4-7-18(21)2/h4-5,7-12H,3,6,13-17H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 3287897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).