1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

C13H21N3O2 — CID 124696603

IUPAC1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC[C@H](C)[C@H]2CN)no1
InChIInChI=1S/C13H21N3O2/c1-9-4-3-5-16(12(9)8-14)13(17)7-11-6-10(2)18-15-11/h6,9,12H,3-5,7-8,14H2,1-2H3/t9-,12+/m0/s1
InChIKeyZYIJMTGPRUDYCY-JOYOIKCWSA-N
MW251.33 g/mol
LogP1.11
Rot. Bonds3

About 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 124696603) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID124696603
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC[C@H](C)[C@H]2CN)no1
InChIInChI=1S/C13H21N3O2/c1-9-4-3-5-16(12(9)8-14)13(17)7-11-6-10(2)18-15-11/h6,9,12H,3-5,7-8,14H2,1-2H3/t9-,12+/m0/s1
InChIKeyZYIJMTGPRUDYCY-JOYOIKCWSA-N
XLogP1.11
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119597065
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone
CID 124684633
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124691824
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124696417
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 71866977
3-amino-N-[[1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120579911
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470790
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119596982
2-(5-methyl-1,2-oxazol-3-yl)-1-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 136525724
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160741
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-cyclopentylethanone
CID 95357695

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 124696603) is 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is Cc1cc(CC(=O)N2CCC[C@H](C)[C@H]2CN)no1.
What is the InChIKey of 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is ZYIJMTGPRUDYCY-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-4-3-5-16(12(9)8-14)13(17)7-11-6-10(2)18-15-11/h6,9,12H,3-5,7-8,14H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 251.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 124696603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).