1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C12H18N4O2 — CID 47003077

IUPAC1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9(17)15-5-7-16(8-6-15)12-10(13)3-4-11(14-12)18-2/h3-4H,5-8,13H2,1-2H3
InChIKeySLSGBZVKCWAPAV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.34
Rot. Bonds2

About 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 47003077) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID47003077
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C12H18N4O2/c1-9(17)15-5-7-16(8-6-15)12-10(13)3-4-11(14-12)18-2/h3-4H,5-8,13H2,1-2H3
InChIKeySLSGBZVKCWAPAV-UHFFFAOYSA-N
XLogP0.34
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 47003077) is 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is COc1ccc(N)c(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is SLSGBZVKCWAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(17)15-5-7-16(8-6-15)12-10(13)3-4-11(14-12)18-2/h3-4H,5-8,13H2,1-2H3.
What are the key properties of 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-6-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47003077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).