5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one

C13H21N3O — CID 82510622

IUPAC5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CN2CCNCC2)ccc1=O
InChIInChI=1S/C13H21N3O/c1-11(2)16-10-12(3-4-13(16)17)9-15-7-5-14-6-8-15/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyBVMZTHNDPVAJNS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.83
Rot. Bonds3

About 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one

5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one (PubChem CID 82510622) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
PubChem CID82510622
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CN2CCNCC2)ccc1=O
InChIInChI=1S/C13H21N3O/c1-11(2)16-10-12(3-4-13(16)17)9-15-7-5-14-6-8-15/h3-4,10-11,14H,5-9H2,1-2H3
InChIKeyBVMZTHNDPVAJNS-UHFFFAOYSA-N
XLogP0.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-5-(piperazin-1-ylmethyl)-1-pyridinyl]acetonitrile
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1-[(1-methylpyrrol-3-yl)methyl]piperazine
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6-(piperazin-1-ylmethyl)-2-propan-2-yl-3H-isoindol-1-one
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1-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
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2-(piperazin-1-ylmethyl)-1-propan-2-ylimidazole-4-carboxylic acid
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4-[4-(piperazin-1-ylmethyl)phenyl]butan-2-ol
CID 117111640
5-[(1-methylazetidin-3-yl)methyl]-1-propan-2-ylpyridin-2-one
CID 146182809
[4-(piperazin-1-ylmethyl)phenyl]phosphane
CID 21334669
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
2-methyl-5-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117204577
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one (CID 82510622) is 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CN2CCNCC2)ccc1=O.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one?
The InChIKey is BVMZTHNDPVAJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(2)16-10-12(3-4-13(16)17)9-15-7-5-14-6-8-15/h3-4,10-11,14H,5-9H2,1-2H3.
What are the key properties of 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one?
5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one has a molecular weight of 235.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82510622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).