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

C15H24N4O2 — CID 107109025

IUPAC1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESNc1ccn(C2CCN(C(=O)CC3CCCCO3)CC2)n1
InChIInChI=1S/C15H24N4O2/c16-14-6-9-19(17-14)12-4-7-18(8-5-12)15(20)11-13-3-1-2-10-21-13/h6,9,12-13H,1-5,7-8,10-11H2,(H2,16,17)
InChIKeyBCRREMHDPKSJFO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.59
Rot. Bonds3

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

1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 107109025) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID107109025
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESNc1ccn(C2CCN(C(=O)CC3CCCCO3)CC2)n1
InChIInChI=1S/C15H24N4O2/c16-14-6-9-19(17-14)12-4-7-18(8-5-12)15(20)11-13-3-1-2-10-21-13/h6,9,12-13H,1-5,7-8,10-11H2,(H2,16,17)
InChIKeyBCRREMHDPKSJFO-UHFFFAOYSA-N
XLogP1.59
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.59
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-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109686
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068
1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]pyrazol-3-amine
CID 107109665
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
1-(1-cyclopentylpyrazol-3-yl)-3-(oxolan-2-yl)propan-2-one
CID 64783724
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-4-methoxypentan-1-one
CID 107109138
1-[(3S)-1-[2-[(2S)-oxan-2-yl]acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488706
2-[2-(oxan-2-yl)acetyl]-1,3-dihydroisoindole-5-carboxylic acid
CID 103997329
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone (CID 107109025) is 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone is Nc1ccn(C2CCN(C(=O)CC3CCCCO3)CC2)n1.
What is the InChIKey of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is BCRREMHDPKSJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c16-14-6-9-19(17-14)12-4-7-18(8-5-12)15(20)11-13-3-1-2-10-21-13/h6,9,12-13H,1-5,7-8,10-11H2,(H2,16,17).
What are the key properties of 1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.59, 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-(oxan-2-yl)ethanone is sourced from PubChem (CID 107109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).