2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide

C12H17N3O3 — CID 54892096

IUPAC2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
SMILESNC(=O)C(c1ccc(O)c(O)c1)N1CCNCC1
InChIInChI=1S/C12H17N3O3/c13-12(18)11(15-5-3-14-4-6-15)8-1-2-9(16)10(17)7-8/h1-2,7,11,14,16-17H,3-6H2,(H2,13,18)
InChIKeyFZNQECSGAUSCNB-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.47
Rot. Bonds3

About 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide

2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide (PubChem CID 54892096) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
PubChem CID54892096
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide
SMILESNC(=O)C(c1ccc(O)c(O)c1)N1CCNCC1
InChIInChI=1S/C12H17N3O3/c13-12(18)11(15-5-3-14-4-6-15)8-1-2-9(16)10(17)7-8/h1-2,7,11,14,16-17H,3-6H2,(H2,13,18)
InChIKeyFZNQECSGAUSCNB-UHFFFAOYSA-N
XLogP-0.47
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 54891952
2-(2,3-dihydro-1-benzofuran-5-yl)-2-piperazin-1-ylacetamide
CID 54892195
2-(3,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide
CID 60995776
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
4-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171272474
4-[(1R)-2,2,2-trifluoro-1-piperazin-1-ylethyl]benzene-1,2-diol
CID 171178281
2-(3-chloro-4-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 65026244
4-[(1R)-1-piperazin-1-ylpropyl]benzene-1,2-diol;dihydrochloride
CID 171285097
4-[(1S)-3-hydroxy-1-piperazin-1-ylpropyl]benzene-1,2-diol;hydrochloride
CID 171189404
2-(5-bromothiophen-3-yl)-2-(1,4-diazepan-1-yl)acetamide
CID 112739748
4-[(S)-cyclohexyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171272484

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide (CID 54892096) is 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide is NC(=O)C(c1ccc(O)c(O)c1)N1CCNCC1.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is FZNQECSGAUSCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-12(18)11(15-5-3-14-4-6-15)8-1-2-9(16)10(17)7-8/h1-2,7,11,14,16-17H,3-6H2,(H2,13,18).
What are the key properties of 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide?
2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 251.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54892096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).