1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone

C15H21N3O3 — CID 81395178

IUPAC1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
SMILESCCOc1cccc(N)c1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-3-21-13-6-4-5-12(16)14(13)15(20)18-9-7-17(8-10-18)11(2)19/h4-6H,3,7-10,16H2,1-2H3
InChIKeyJJGVFPLSRIYFTM-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.97
Rot. Bonds3

About 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone

1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 81395178) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID81395178
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone
SMILESCCOc1cccc(N)c1C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-3-21-13-6-4-5-12(16)14(13)15(20)18-9-7-17(8-10-18)11(2)19/h4-6H,3,7-10,16H2,1-2H3
InChIKeyJJGVFPLSRIYFTM-UHFFFAOYSA-N
XLogP0.97
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone (CID 81395178) is 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone is CCOc1cccc(N)c1C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is JJGVFPLSRIYFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-21-13-6-4-5-12(16)14(13)15(20)18-9-7-17(8-10-18)11(2)19/h4-6H,3,7-10,16H2,1-2H3.
What are the key properties of 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone?
1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-6-ethoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 81395178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).