2-(2-hydroxyanilino)-1-piperazin-1-ylethanone

C12H17N3O2 — CID 82510539

IUPAC2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
SMILESO=C(CNc1ccccc1O)N1CCNCC1
InChIInChI=1S/C12H17N3O2/c16-11-4-2-1-3-10(11)14-9-12(17)15-7-5-13-6-8-15/h1-4,13-14,16H,5-9H2
InChIKeyADVBZXZEFDVHKS-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.24
Rot. Bonds3

About 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone

2-(2-hydroxyanilino)-1-piperazin-1-ylethanone (PubChem CID 82510539) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
PubChem CID82510539
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(2-hydroxyanilino)-1-piperazin-1-ylethanone
SMILESO=C(CNc1ccccc1O)N1CCNCC1
InChIInChI=1S/C12H17N3O2/c16-11-4-2-1-3-10(11)14-9-12(17)15-7-5-13-6-8-15/h1-4,13-14,16H,5-9H2
InChIKeyADVBZXZEFDVHKS-UHFFFAOYSA-N
XLogP0.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
CID 39284489
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
2-nitro-3-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 104719942
3-(2-hydroxyphenyl)-1-piperazin-1-ylpropan-1-one;methane
CID 143559381
5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 62495215
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
4-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 60895306
4-methyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 62309036
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone (CID 82510539) is 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone is O=C(CNc1ccccc1O)N1CCNCC1.
What is the InChIKey of 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone?
The InChIKey is ADVBZXZEFDVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-4-2-1-3-10(11)14-9-12(17)15-7-5-13-6-8-15/h1-4,13-14,16H,5-9H2.
What are the key properties of 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone?
2-(2-hydroxyanilino)-1-piperazin-1-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyanilino)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82510539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).