4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one

C13H18N4O — CID 163357658

IUPAC4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
SMILESCc1ccc(N2CC(N3CCNC(=O)C3)C2)nc1
InChIInChI=1S/C13H18N4O/c1-10-2-3-12(15-6-10)17-7-11(8-17)16-5-4-14-13(18)9-16/h2-3,6,11H,4-5,7-9H2,1H3,(H,14,18)
InChIKeyBBGPSHWDTUIRAP-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.01
Rot. Bonds2

About 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one

4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one (PubChem CID 163357658) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
PubChem CID163357658
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
SMILESCc1ccc(N2CC(N3CCNC(=O)C3)C2)nc1
InChIInChI=1S/C13H18N4O/c1-10-2-3-12(15-6-10)17-7-11(8-17)16-5-4-14-13(18)9-16/h2-3,6,11H,4-5,7-9H2,1H3,(H,14,18)
InChIKeyBBGPSHWDTUIRAP-UHFFFAOYSA-N
XLogP0.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(6-methoxypyrimidin-4-yl)azetidin-3-yl]piperazin-2-one
CID 154830347
4-[1-(5-chloropyrimidin-2-yl)azetidin-3-yl]piperazin-2-one
CID 155942272
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 59535791
4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
CID 139019667
4-(5-propan-2-yl-2-pyridinyl)piperazin-2-one
CID 59019290
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine
CID 174314011
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one
CID 136543148
1-(5-methyl-2-pyridinyl)pyrazolidin-3-one
CID 140764066
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one?
The IUPAC name of 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one (CID 163357658) is 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one.
What is the SMILES notation for 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one?
The canonical SMILES for 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one is Cc1ccc(N2CC(N3CCNC(=O)C3)C2)nc1.
What is the InChIKey of 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one?
The InChIKey is BBGPSHWDTUIRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-2-3-12(15-6-10)17-7-11(8-17)16-5-4-14-13(18)9-16/h2-3,6,11H,4-5,7-9H2,1H3,(H,14,18).
What are the key properties of 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one?
4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one is sourced from PubChem (CID 163357658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).