N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide

C23H29N3O3 — CID 17335308

IUPACN-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
SMILESCC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-18(2)16-23(28)26-14-12-25(13-15-26)20-10-8-19(9-11-20)24-22(27)17-29-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyOPYCJRNKXZBWCA-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide

N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide (PubChem CID 17335308) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
PubChem CID17335308
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
SMILESCC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-18(2)16-23(28)26-14-12-25(13-15-26)20-10-8-19(9-11-20)24-22(27)17-29-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27)
InChIKeyOPYCJRNKXZBWCA-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3161431
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735
2-(4-tert-butylphenoxy)-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]acetamide
CID 4262797
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 2969652
3-(2-chlorophenyl)-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]propanamide
CID 17162574
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 1016330
2-(4-chlorophenoxy)-N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 1056071
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 2984231

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide (CID 17335308) is N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide is CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
The InChIKey is OPYCJRNKXZBWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18(2)16-23(28)26-14-12-25(13-15-26)20-10-8-19(9-11-20)24-22(27)17-29-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide?
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 395.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 17335308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).