N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide

C22H27N3O3 — CID 6457636

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C22H27N3O3/c1-16-12-17(2)14-19(13-16)28-15-22(27)23-20-6-4-5-7-21(20)25-10-8-24(9-11-25)18(3)26/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27)
InChIKeyWEBAHRXBOHWZRW-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.99
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 6457636) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID6457636
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C22H27N3O3/c1-16-12-17(2)14-19(13-16)28-15-22(27)23-20-6-4-5-7-21(20)25-10-8-24(9-11-25)18(3)26/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27)
InChIKeyWEBAHRXBOHWZRW-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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide (CID 6457636) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide is CC(=O)N1CCN(c2ccccc2NC(=O)COc2cc(C)cc(C)c2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is WEBAHRXBOHWZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-12-17(2)14-19(13-16)28-15-22(27)23-20-6-4-5-7-21(20)25-10-8-24(9-11-25)18(3)26/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-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-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 6457636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).