3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one

C11H18N4O — CID 112672074

IUPAC3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one
SMILESCc1nn(C)cc1CN1CCCC(N)C1=O
InChIInChI=1S/C11H18N4O/c1-8-9(6-14(2)13-8)7-15-5-3-4-10(12)11(15)16/h6,10H,3-5,7,12H2,1-2H3
InChIKeyZJBUKYORRKAHAX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.18
Rot. Bonds2

About 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one

3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one (PubChem CID 112672074) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one
PubChem CID112672074
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one
SMILESCc1nn(C)cc1CN1CCCC(N)C1=O
InChIInChI=1S/C11H18N4O/c1-8-9(6-14(2)13-8)7-15-5-3-4-10(12)11(15)16/h6,10H,3-5,7,12H2,1-2H3
InChIKeyZJBUKYORRKAHAX-UHFFFAOYSA-N
XLogP0.18
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one?
The IUPAC name of 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one (CID 112672074) is 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one is Cc1nn(C)cc1CN1CCCC(N)C1=O.
What is the InChIKey of 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one?
The InChIKey is ZJBUKYORRKAHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(6-14(2)13-8)7-15-5-3-4-10(12)11(15)16/h6,10H,3-5,7,12H2,1-2H3.
What are the key properties of 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one?
3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 112672074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).