4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide

C13H18N4O2 — CID 89157748

IUPAC4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(N)cc2)C(C(N)=O)C1
InChIInChI=1S/C13H18N4O2/c1-9(18)16-6-7-17(12(8-16)13(15)19)11-4-2-10(14)3-5-11/h2-5,12H,6-8,14H2,1H3,(H2,15,19)
InChIKeyPOVKLXOYSYTVJI-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.21
Rot. Bonds2

About 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide

4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide (PubChem CID 89157748) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide
PubChem CID89157748
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccc(N)cc2)C(C(N)=O)C1
InChIInChI=1S/C13H18N4O2/c1-9(18)16-6-7-17(12(8-16)13(15)19)11-4-2-10(14)3-5-11/h2-5,12H,6-8,14H2,1H3,(H2,15,19)
InChIKeyPOVKLXOYSYTVJI-UHFFFAOYSA-N
XLogP-0.21
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide?
The IUPAC name of 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide (CID 89157748) is 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide is CC(=O)N1CCN(c2ccc(N)cc2)C(C(N)=O)C1.
What is the InChIKey of 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide?
The InChIKey is POVKLXOYSYTVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(18)16-6-7-17(12(8-16)13(15)19)11-4-2-10(14)3-5-11/h2-5,12H,6-8,14H2,1H3,(H2,15,19).
What are the key properties of 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide?
4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-(4-aminophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 89157748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).