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

C20H22ClN3O3 — CID 3161435

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O3/c1-15(25)23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-20(26)14-27-19-9-5-2-6-16(19)21/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyGQJVEDJYYVZNFD-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.03
Rot. Bonds5

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

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 3161435) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
PubChem CID3161435
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN3O3/c1-15(25)23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-20(26)14-27-19-9-5-2-6-16(19)21/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyGQJVEDJYYVZNFD-UHFFFAOYSA-N
XLogP3.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.03
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-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide (CID 3161435) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide is CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
The InChIKey is GQJVEDJYYVZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-15(25)23-10-12-24(13-11-23)18-8-4-3-7-17(18)22-20(26)14-27-19-9-5-2-6-16(19)21/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 387.87 g/mol, XLogP of 3.03, 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-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 3161435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).