1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone

C11H18N4O2 — CID 107109068

IUPAC1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C11H18N4O2/c1-17-8-11(16)14-5-2-9(3-6-14)15-7-4-10(12)13-15/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,13)
InChIKeyBSDRJJXTHRVUFO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.28
Rot. Bonds3

About 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone (PubChem CID 107109068) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
PubChem CID107109068
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C11H18N4O2/c1-17-8-11(16)14-5-2-9(3-6-14)15-7-4-10(12)13-15/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,13)
InChIKeyBSDRJJXTHRVUFO-UHFFFAOYSA-N
XLogP0.28
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
CID 107109138
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 91105540
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone (CID 107109068) is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is BSDRJJXTHRVUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-8-11(16)14-5-2-9(3-6-14)15-7-4-10(12)13-15/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone?
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 238.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 107109068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).