1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one

C14H24N4O2 — CID 107109138

IUPAC1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C14H24N4O2/c1-11(20-2)3-4-14(19)17-8-5-12(6-9-17)18-10-7-13(15)16-18/h7,10-12H,3-6,8-9H2,1-2H3,(H2,15,16)
InChIKeyLVNGWYUAWLJYKW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds5

About 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one (PubChem CID 107109138) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
PubChem CID107109138
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
SMILESCOC(C)CCC(=O)N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C14H24N4O2/c1-11(20-2)3-4-14(19)17-8-5-12(6-9-17)18-10-7-13(15)16-18/h7,10-12H,3-6,8-9H2,1-2H3,(H2,15,16)
InChIKeyLVNGWYUAWLJYKW-UHFFFAOYSA-N
XLogP1.44
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 107110032
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 107109733
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 107109025
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
2-hydroxy-1-[4-[3-(methoxymethyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 91105540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one?
The IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one (CID 107109138) is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one.
What is the SMILES notation for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one?
The canonical SMILES for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one is COC(C)CCC(=O)N1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one?
The InChIKey is LVNGWYUAWLJYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(20-2)3-4-14(19)17-8-5-12(6-9-17)18-10-7-13(15)16-18/h7,10-12H,3-6,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one?
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one has a molecular weight of 280.37 g/mol, XLogP of 1.44, 5 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]-4-methoxypentan-1-one is sourced from PubChem (CID 107109138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).