N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide

C22H27N3O3 — CID 1090215

IUPACN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-16-4-9-21(17(2)14-16)28-15-22(27)23-19-5-7-20(8-6-19)25-12-10-24(11-13-25)18(3)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyPGWSITFOCPEOEI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.99
Rot. Bonds5

About N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide

N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 1090215) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID1090215
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1
InChIInChI=1S/C22H27N3O3/c1-16-4-9-21(17(2)14-16)28-15-22(27)23-19-5-7-20(8-6-19)25-12-10-24(11-13-25)18(3)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)
InChIKeyPGWSITFOCPEOEI-UHFFFAOYSA-N
XLogP2.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.99
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

2-(2,4-dimethylphenoxy)-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 979705
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4021519
2-(2,4-dimethylphenoxy)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 78777639
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 3287897
2-(2,4-dimethylphenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 965458
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
2-(4-chloro-2-methylphenoxy)-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 4203187
2-(4-chloro-2-methylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335450
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3161431
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 6461848
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922502

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide (CID 1090215) is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(C)cc3C)cc2)CC1.
What is the InChIKey of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is PGWSITFOCPEOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-9-21(17(2)14-16)28-15-22(27)23-19-5-7-20(8-6-19)25-12-10-24(11-13-25)18(3)26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide?
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 1090215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).