4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one

C12H15N3O2 — CID 83118479

IUPAC4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCNC(=O)C2C)cn1
InChIInChI=1S/C12H15N3O2/c1-8-12(17)13-5-6-15(8)10-3-4-11(9(2)16)14-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)
InChIKeyVMWILSSOFKRGOW-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.61
Rot. Bonds2

About 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one

4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one (PubChem CID 83118479) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
PubChem CID83118479
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCNC(=O)C2C)cn1
InChIInChI=1S/C12H15N3O2/c1-8-12(17)13-5-6-15(8)10-3-4-11(9(2)16)14-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,17)
InChIKeyVMWILSSOFKRGOW-UHFFFAOYSA-N
XLogP0.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one (CID 83118479) is 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one is CC(=O)c1ccc(N2CCNC(=O)C2C)cn1.
What is the InChIKey of 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one?
The InChIKey is VMWILSSOFKRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-12(17)13-5-6-15(8)10-3-4-11(9(2)16)14-7-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,17).
What are the key properties of 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one?
4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 83118479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).