5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one

C11H17N3O — CID 82507416

IUPAC5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CN2CCNCC2)c1
InChIInChI=1S/C11H17N3O/c1-9-6-10(11(15)13-7-9)8-14-4-2-12-3-5-14/h6-7,12H,2-5,8H2,1H3,(H,13,15)
InChIKeyXDWVSVCCVUKEOS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.09
Rot. Bonds2

About 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one

5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 82507416) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID82507416
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(CN2CCNCC2)c1
InChIInChI=1S/C11H17N3O/c1-9-6-10(11(15)13-7-9)8-14-4-2-12-3-5-14/h6-7,12H,2-5,8H2,1H3,(H,13,15)
InChIKeyXDWVSVCCVUKEOS-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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Related Compounds

1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
1-[(3-fluoro-2,5-dimethylphenyl)methyl]piperazine
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5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
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1-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperazine
CID 84701977
2-(aminomethyl)-6-[[4-[[3-(aminomethyl)-2-hydroxy-5-methylphenyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-methylphenol
CID 170744074
5-methyl-2-(piperazin-1-ylmethyl)phenol
CID 82610699
1-[(2-ethoxy-5-methylphenyl)methyl]piperazine
CID 82263437
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1H-indole
CID 82497500
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
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1-[[5-methyl-2-(2-methylpropylsulfanyl)phenyl]methyl]piperazine
CID 82265042

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one (CID 82507416) is 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one is Cc1c[nH]c(=O)c(CN2CCNCC2)c1.
What is the InChIKey of 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is XDWVSVCCVUKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-6-10(11(15)13-7-9)8-14-4-2-12-3-5-14/h6-7,12H,2-5,8H2,1H3,(H,13,15).
What are the key properties of 5-methyl-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
5-methyl-3-(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-3-(piperazin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82507416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).