1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one

C10H16N4O — CID 150131553

IUPAC1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2ccn(C)n2)CCC1=O
InChIInChI=1S/C10H16N4O/c1-13-7-8(3-4-10(13)15)11-9-5-6-14(2)12-9/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyFBIZOWUTGABOSY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.45
Rot. Bonds2

About 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one

1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one (PubChem CID 150131553) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one
PubChem CID150131553
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2ccn(C)n2)CCC1=O
InChIInChI=1S/C10H16N4O/c1-13-7-8(3-4-10(13)15)11-9-5-6-14(2)12-9/h5-6,8H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyFBIZOWUTGABOSY-UHFFFAOYSA-N
XLogP0.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one (CID 150131553) is 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one is CN1CC(Nc2ccn(C)n2)CCC1=O.
What is the InChIKey of 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one?
The InChIKey is FBIZOWUTGABOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-7-8(3-4-10(13)15)11-9-5-6-14(2)12-9/h5-6,8H,3-4,7H2,1-2H3,(H,11,12).
What are the key properties of 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one?
1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methylpyrazol-3-yl)amino]piperidin-2-one is sourced from PubChem (CID 150131553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).