3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one

C10H15N3O — CID 55274563

IUPAC3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one
SMILESCc1cc([C@@H]2CNCCN2)c[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-7-4-8(5-13-10(7)14)9-6-11-2-3-12-9/h4-5,9,11-12H,2-3,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyPDGSGACUEWHVRB-VIFPVBQESA-N
MW193.25 g/mol
LogP-0.08
Rot. Bonds1

About 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one

3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one (PubChem CID 55274563) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one
PubChem CID55274563
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one
SMILESCc1cc([C@@H]2CNCCN2)c[nH]c1=O
InChIInChI=1S/C10H15N3O/c1-7-4-8(5-13-10(7)14)9-6-11-2-3-12-9/h4-5,9,11-12H,2-3,6H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyPDGSGACUEWHVRB-VIFPVBQESA-N
XLogP-0.08
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one (CID 55274563) is 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one is Cc1cc([C@@H]2CNCCN2)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one?
The InChIKey is PDGSGACUEWHVRB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-4-8(5-13-10(7)14)9-6-11-2-3-12-9/h4-5,9,11-12H,2-3,6H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one?
3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one has a molecular weight of 193.25 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-piperazin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 55274563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).