N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide

C21H24ClN3O4 — CID 17177111

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-15(26)24-10-12-25(13-11-24)21-18(22)4-3-5-19(21)23-20(27)14-29-17-8-6-16(28-2)7-9-17/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyNWXBRIYZBMNFNP-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 17177111) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
PubChem CID17177111
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H24ClN3O4/c1-15(26)24-10-12-25(13-11-24)21-18(22)4-3-5-19(21)23-20(27)14-29-17-8-6-16(28-2)7-9-17/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyNWXBRIYZBMNFNP-UHFFFAOYSA-N
XLogP3.03
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 17177108
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-propoxybenzamide
CID 17177021
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
CID 55507135
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-3-methoxynaphthalene-2-carboxamide
CID 17177063
2-(4-chloro-3-methylphenoxy)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3894786
2-(4-tert-butylphenoxy)-N-[3-chloro-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]acetamide
CID 17091582
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 5030809
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(1-adamantyl)acetamide
CID 17177126
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 2963756

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide (CID 17177111) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is NWXBRIYZBMNFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-15(26)24-10-12-25(13-11-24)21-18(22)4-3-5-19(21)23-20(27)14-29-17-8-6-16(28-2)7-9-17/h3-9H,10-14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 417.89 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 17177111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).