2-[1-(4-aminophenyl)piperazin-2-yl]acetamide

C12H18N4O — CID 161149174

IUPAC2-[1-(4-aminophenyl)piperazin-2-yl]acetamide
SMILESNC(=O)CC1CNCCN1c1ccc(N)cc1
InChIInChI=1S/C12H18N4O/c13-9-1-3-10(4-2-9)16-6-5-15-8-11(16)7-12(14)17/h1-4,11,15H,5-8,13H2,(H2,14,17)
InChIKeyUOLFKXMTIXZBGY-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.08
Rot. Bonds3

About 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide

2-[1-(4-aminophenyl)piperazin-2-yl]acetamide (PubChem CID 161149174) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)piperazin-2-yl]acetamide
PubChem CID161149174
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[1-(4-aminophenyl)piperazin-2-yl]acetamide
SMILESNC(=O)CC1CNCCN1c1ccc(N)cc1
InChIInChI=1S/C12H18N4O/c13-9-1-3-10(4-2-9)16-6-5-15-8-11(16)7-12(14)17/h1-4,11,15H,5-8,13H2,(H2,14,17)
InChIKeyUOLFKXMTIXZBGY-UHFFFAOYSA-N
XLogP-0.08
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide?
The IUPAC name of 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide (CID 161149174) is 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide?
The canonical SMILES for 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide is NC(=O)CC1CNCCN1c1ccc(N)cc1.
What is the InChIKey of 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide?
The InChIKey is UOLFKXMTIXZBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-9-1-3-10(4-2-9)16-6-5-15-8-11(16)7-12(14)17/h1-4,11,15H,5-8,13H2,(H2,14,17).
What are the key properties of 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide?
2-[1-(4-aminophenyl)piperazin-2-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 161149174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).