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

C13H19N3O2 — CID 83016661

IUPAC2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)14-13(18)10-11-4-2-3-5-12(11)17/h2-5,17H,6-10H2,1H3,(H,14,18)
InChIKeyXEQZWBIKGRLPJY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.21
Rot. Bonds3

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

2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 83016661) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID83016661
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)Cc2ccccc2O)CC1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)14-13(18)10-11-4-2-3-5-12(11)17/h2-5,17H,6-10H2,1H3,(H,14,18)
InChIKeyXEQZWBIKGRLPJY-UHFFFAOYSA-N
XLogP0.21
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
1-benzyl-3-(4-methylpiperazin-1-yl)urea
CID 107653207
2-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 84556181
N-(4-methylpiperazin-1-yl)butanamide
CID 4129194
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667
2-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205744
2-amino-N-(4-methylpiperazin-1-yl)-3-phenylpropanamide
CID 83015503
2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenol
CID 28656653

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide (CID 83016661) is 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)Cc2ccccc2O)CC1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is XEQZWBIKGRLPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)14-13(18)10-11-4-2-3-5-12(11)17/h2-5,17H,6-10H2,1H3,(H,14,18).
What are the key properties of 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide?
2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 83016661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).