5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one

C11H17N3O — CID 96770339

IUPAC5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1CN1CCNCC1
InChIInChI=1S/C11H17N3O/c1-9-2-3-11(15)13-10(9)8-14-6-4-12-5-7-14/h2-3,12H,4-8H2,1H3,(H,13,15)
InChIKeyKAOPEGVRRNYVQP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.09
Rot. Bonds2

About 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one

5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 96770339) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID96770339
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1CN1CCNCC1
InChIInChI=1S/C11H17N3O/c1-9-2-3-11(15)13-10(9)8-14-6-4-12-5-7-14/h2-3,12H,4-8H2,1H3,(H,13,15)
InChIKeyKAOPEGVRRNYVQP-UHFFFAOYSA-N
XLogP0.09
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one (CID 96770339) is 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one is Cc1ccc(=O)[nH]c1CN1CCNCC1.
What is the InChIKey of 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is KAOPEGVRRNYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-2-3-11(15)13-10(9)8-14-6-4-12-5-7-14/h2-3,12H,4-8H2,1H3,(H,13,15).
What are the key properties of 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(piperazin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 96770339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).