1-(3-aminophenyl)-4-ethylpiperazin-2-one

C12H17N3O — CID 67479009

IUPAC1-(3-aminophenyl)-4-ethylpiperazin-2-one
SMILESCCN1CCN(c2cccc(N)c2)C(=O)C1
InChIInChI=1S/C12H17N3O/c1-2-14-6-7-15(12(16)9-14)11-5-3-4-10(13)8-11/h3-5,8H,2,6-7,9,13H2,1H3
InChIKeySTDSROAHQIRURX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.94
Rot. Bonds2

About 1-(3-aminophenyl)-4-ethylpiperazin-2-one

1-(3-aminophenyl)-4-ethylpiperazin-2-one (PubChem CID 67479009) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-aminophenyl)-4-ethylpiperazin-2-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-4-ethylpiperazin-2-one
PubChem CID67479009
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-aminophenyl)-4-ethylpiperazin-2-one
SMILESCCN1CCN(c2cccc(N)c2)C(=O)C1
InChIInChI=1S/C12H17N3O/c1-2-14-6-7-15(12(16)9-14)11-5-3-4-10(13)8-11/h3-5,8H,2,6-7,9,13H2,1H3
InChIKeySTDSROAHQIRURX-UHFFFAOYSA-N
XLogP0.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-4-ethylpiperazin-2-one?
The IUPAC name of 1-(3-aminophenyl)-4-ethylpiperazin-2-one (CID 67479009) is 1-(3-aminophenyl)-4-ethylpiperazin-2-one.
What is the SMILES notation for 1-(3-aminophenyl)-4-ethylpiperazin-2-one?
The canonical SMILES for 1-(3-aminophenyl)-4-ethylpiperazin-2-one is CCN1CCN(c2cccc(N)c2)C(=O)C1.
What is the InChIKey of 1-(3-aminophenyl)-4-ethylpiperazin-2-one?
The InChIKey is STDSROAHQIRURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-14-6-7-15(12(16)9-14)11-5-3-4-10(13)8-11/h3-5,8H,2,6-7,9,13H2,1H3.
What are the key properties of 1-(3-aminophenyl)-4-ethylpiperazin-2-one?
1-(3-aminophenyl)-4-ethylpiperazin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-4-ethylpiperazin-2-one is sourced from PubChem (CID 67479009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).