2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

C13H19N3O2 — CID 107339302

IUPAC2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C13H19N3O2/c1-13(18)4-6-16(7-5-13)12(17)8-11-3-2-10(14)9-15-11/h2-3,9,18H,4-8,14H2,1H3
InChIKeyONSAHYLDOGDCAJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.58
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 107339302) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID107339302
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCC1(O)CCN(C(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C13H19N3O2/c1-13(18)4-6-16(7-5-13)12(17)8-11-3-2-10(14)9-15-11/h2-3,9,18H,4-8,14H2,1H3
InChIKeyONSAHYLDOGDCAJ-UHFFFAOYSA-N
XLogP0.58
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120639461
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
2-(5-amino-2-pyridinyl)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120629776
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120640034
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 107339302) is 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is CC1(O)CCN(C(=O)Cc2ccc(N)cn2)CC1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is ONSAHYLDOGDCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(18)4-6-16(7-5-13)12(17)8-11-3-2-10(14)9-15-11/h2-3,9,18H,4-8,14H2,1H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107339302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).