2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone

C13H19N3O2 — CID 67480242

IUPAC2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1ccncc1OC1CCN(C(=O)CN)CC1
InChIInChI=1S/C13H19N3O2/c1-10-2-5-15-9-12(10)18-11-3-6-16(7-4-11)13(17)8-14/h2,5,9,11H,3-4,6-8,14H2,1H3
InChIKeyXHSTVHMZVGAJLB-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds3

About 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone

2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 67480242) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID67480242
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1ccncc1OC1CCN(C(=O)CN)CC1
InChIInChI=1S/C13H19N3O2/c1-10-2-5-15-9-12(10)18-11-3-6-16(7-4-11)13(17)8-14/h2,5,9,11H,3-4,6-8,14H2,1H3
InChIKeyXHSTVHMZVGAJLB-UHFFFAOYSA-N
XLogP0.72
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
2-cyclopropyl-2-methyl-1-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 126811975
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
2-amino-1-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591546
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
2-amino-1-[4-[4-chloro-2-methyl-6-[(Z)-1-sulfanylprop-1-en-2-yl]phenoxy]piperidin-1-yl]ethanone;ethane
CID 166555531
methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
CID 142043170
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
2-amino-1-[4-(2,3-dimethylanilino)piperidin-1-yl]ethanone
CID 67480098
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70782961

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 67480242) is 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone is Cc1ccncc1OC1CCN(C(=O)CN)CC1.
What is the InChIKey of 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is XHSTVHMZVGAJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-2-5-15-9-12(10)18-11-3-6-16(7-4-11)13(17)8-14/h2,5,9,11H,3-4,6-8,14H2,1H3.
What are the key properties of 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 67480242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).