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

C10H15N3O — CID 82605248

IUPAC6-(piperazin-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1cccc(CN2CCNCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-10-3-1-2-9(12-10)8-13-6-4-11-5-7-13/h1-3,11H,4-8H2,(H,12,14)
InChIKeyWBLIAVFBJWXCSV-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.22
Rot. Bonds2

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

6-(piperazin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 82605248) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(piperazin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID82605248
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name6-(piperazin-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1cccc(CN2CCNCC2)[nH]1
InChIInChI=1S/C10H15N3O/c14-10-3-1-2-9(12-10)8-13-6-4-11-5-7-13/h1-3,11H,4-8H2,(H,12,14)
InChIKeyWBLIAVFBJWXCSV-UHFFFAOYSA-N
XLogP-0.22
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one (CID 82605248) is 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one is O=c1cccc(CN2CCNCC2)[nH]1.
What is the InChIKey of 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is WBLIAVFBJWXCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-3-1-2-9(12-10)8-13-6-4-11-5-7-13/h1-3,11H,4-8H2,(H,12,14).
What are the key properties of 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one?
6-(piperazin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82605248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).