2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide

C14H21N3O2 — CID 891918

IUPAC2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccccc1OCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C14H21N3O2/c1-12-5-3-4-6-13(12)19-11-14(18)15-17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyKUKMUIZWKCFHMW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.65
Rot. Bonds4

About 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide

2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 891918) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID891918
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccccc1OCC(=O)NN1CCN(C)CC1
InChIInChI=1S/C14H21N3O2/c1-12-5-3-4-6-13(12)19-11-14(18)15-17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyKUKMUIZWKCFHMW-UHFFFAOYSA-N
XLogP0.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604367
2-(3,5-dimethylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 9204914
2-(2-methylphenoxy)-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861936
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)-2-(2-methylphenoxy)acetamide
CID 2945747
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 83016661
2-[2-oxo-2-(piperidin-1-ylamino)ethoxy]benzamide
CID 9083909
N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 110666893
4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
CID 60547515
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide (CID 891918) is 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide is Cc1ccccc1OCC(=O)NN1CCN(C)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KUKMUIZWKCFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12-5-3-4-6-13(12)19-11-14(18)15-17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18).
What are the key properties of 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide?
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 891918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).