4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one

C11H14N4O2 — CID 107337480

IUPAC4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
SMILESNc1ccc(CC(=O)N2CCNC(=O)C2)nc1
InChIInChI=1S/C11H14N4O2/c12-8-1-2-9(14-6-8)5-11(17)15-4-3-13-10(16)7-15/h1-2,6H,3-5,7,12H2,(H,13,16)
InChIKeyMTRFMYUGTLZVLD-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.84
Rot. Bonds2

About 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one

4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one (PubChem CID 107337480) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
PubChem CID107337480
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
SMILESNc1ccc(CC(=O)N2CCNC(=O)C2)nc1
InChIInChI=1S/C11H14N4O2/c12-8-1-2-9(14-6-8)5-11(17)15-4-3-13-10(16)7-15/h1-2,6H,3-5,7,12H2,(H,13,16)
InChIKeyMTRFMYUGTLZVLD-UHFFFAOYSA-N
XLogP-0.84
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-[2-(1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 110475971
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
4-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 62795384
4-(2-pyridin-2-ylacetyl)-1,4-diazepan-2-one
CID 65361208
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione
CID 107339092
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one (CID 107337480) is 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one is Nc1ccc(CC(=O)N2CCNC(=O)C2)nc1.
What is the InChIKey of 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one?
The InChIKey is MTRFMYUGTLZVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-8-1-2-9(14-6-8)5-11(17)15-4-3-13-10(16)7-15/h1-2,6H,3-5,7,12H2,(H,13,16).
What are the key properties of 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one?
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one has a molecular weight of 234.26 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one is sourced from PubChem (CID 107337480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).