N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide

C15H18Cl3N3O3 — CID 78801280

IUPACN-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl3N3O3/c1-19-14(22)8-20-2-4-21(5-3-20)15(23)9-24-13-7-11(17)10(16)6-12(13)18/h6-7H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyZORYWROPWOEARY-UHFFFAOYSA-N
MW394.69 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide

N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 78801280) has the molecular formula C15H18Cl3N3O3 and a molecular weight of 394.69 g/mol. Its IUPAC name is N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID78801280
Molecular FormulaC15H18Cl3N3O3
Molecular Weight394.69 g/mol
Exact Mass393.04
IUPAC NameN-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCNC(=O)CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C15H18Cl3N3O3/c1-19-14(22)8-20-2-4-21(5-3-20)15(23)9-24-13-7-11(17)10(16)6-12(13)18/h6-7H,2-5,8-9H2,1H3,(H,19,22)
InChIKeyZORYWROPWOEARY-UHFFFAOYSA-N
XLogP1.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 34432596
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
1-[4-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 119563145
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
CID 60529408
1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 43391732
1-[3-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119492518
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119647507
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 30795165
3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 78803732
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 2204350
2-[4-[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30833951
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 18138931

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 78801280) is N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide is CNC(=O)CN1CCN(C(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is ZORYWROPWOEARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl3N3O3/c1-19-14(22)8-20-2-4-21(5-3-20)15(23)9-24-13-7-11(17)10(16)6-12(13)18/h6-7H,2-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide?
N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 394.69 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78801280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).