5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one

C10H16N4O — CID 83094336

IUPAC5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one
SMILESCc1nn(C)cc1C1NC(=O)CCC1N
InChIInChI=1S/C10H16N4O/c1-6-7(5-14(2)13-6)10-8(11)3-4-9(15)12-10/h5,8,10H,3-4,11H2,1-2H3,(H,12,15)
InChIKeyMDNKQSRHAQDYHJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.01
Rot. Bonds1

About 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one

5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one (PubChem CID 83094336) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one
PubChem CID83094336
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one
SMILESCc1nn(C)cc1C1NC(=O)CCC1N
InChIInChI=1S/C10H16N4O/c1-6-7(5-14(2)13-6)10-8(11)3-4-9(15)12-10/h5,8,10H,3-4,11H2,1-2H3,(H,12,15)
InChIKeyMDNKQSRHAQDYHJ-UHFFFAOYSA-N
XLogP0.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one (CID 83094336) is 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one is Cc1nn(C)cc1C1NC(=O)CCC1N.
What is the InChIKey of 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one?
The InChIKey is MDNKQSRHAQDYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-7(5-14(2)13-6)10-8(11)3-4-9(15)12-10/h5,8,10H,3-4,11H2,1-2H3,(H,12,15).
What are the key properties of 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one?
5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1,3-dimethylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 83094336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).