2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C13H19N3O2 — CID 83768240

IUPAC2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CO)cc2)CC1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)12-4-2-11(3-5-12)14-13(18)10-17/h2-5,17H,6-10H2,1H3,(H,14,18)
InChIKeyAHOLWXVQFLHNTD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.37
Rot. Bonds3

About 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 83768240) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID83768240
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CO)cc2)CC1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)12-4-2-11(3-5-12)14-13(18)10-17/h2-5,17H,6-10H2,1H3,(H,14,18)
InChIKeyAHOLWXVQFLHNTD-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234
2-cyclopentyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51176688
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
3-(4-acetamidoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041251
2-(3-methylbutylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109005861
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
1-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 2768327
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 110601100
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012880

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 83768240) is 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)CO)cc2)CC1.
What is the InChIKey of 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is AHOLWXVQFLHNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)12-4-2-11(3-5-12)14-13(18)10-17/h2-5,17H,6-10H2,1H3,(H,14,18).
What are the key properties of 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 83768240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).