[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

C13H21N3O3 — CID 112622301

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCOC1CCN(C(=O)c2oc(C)nc2C)C(CN)C1
InChIInChI=1S/C13H21N3O3/c1-8-12(19-9(2)15-8)13(17)16-5-4-11(18-3)6-10(16)7-14/h10-11H,4-7,14H2,1-3H3
InChIKeyALCKNTSSEWSSQN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.87
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 112622301) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID112622301
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCOC1CCN(C(=O)c2oc(C)nc2C)C(CN)C1
InChIInChI=1S/C13H21N3O3/c1-8-12(19-9(2)15-8)13(17)16-5-4-11(18-3)6-10(16)7-14/h10-11H,4-7,14H2,1-3H3
InChIKeyALCKNTSSEWSSQN-UHFFFAOYSA-N
XLogP0.87
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 103441091
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 112622199
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671747
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 112622228
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119033810
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 115963439
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855210

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 112622301) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is COC1CCN(C(=O)c2oc(C)nc2C)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is ALCKNTSSEWSSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8-12(19-9(2)15-8)13(17)16-5-4-11(18-3)6-10(16)7-14/h10-11H,4-7,14H2,1-3H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 267.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 112622301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).