N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide

C12H17N3O2 — CID 60850914

IUPACN-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(O)cc1
InChIInChI=1S/C12H17N3O2/c16-11-3-1-10(2-4-11)14-12(17)9-15-7-5-13-6-8-15/h1-4,13,16H,5-9H2,(H,14,17)
InChIKeyIBVNKGNLLRDAKJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.24
Rot. Bonds3

About N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide

N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 60850914) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID60850914
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)Nc1ccc(O)cc1
InChIInChI=1S/C12H17N3O2/c16-11-3-1-10(2-4-11)14-12(17)9-15-7-5-13-6-8-15/h1-4,13,16H,5-9H2,(H,14,17)
InChIKeyIBVNKGNLLRDAKJ-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-[4-(tert-butylamino)phenyl]-2-piperazin-1-ylacetamide;N-[4-(tert-butylamino)phenyl]-2-piperidin-1-ylacetamide;methane
CID 158031783
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 62838704
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide (CID 60850914) is N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is IBVNKGNLLRDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-3-1-10(2-4-11)14-12(17)9-15-7-5-13-6-8-15/h1-4,13,16H,5-9H2,(H,14,17).
What are the key properties of N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide?
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide 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 N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60850914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).