5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one

C13H21N3O3 — CID 55167972

IUPAC5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one
SMILESCNCC1CCCCN1CC(=O)n1oc(C)cc1=O
InChIInChI=1S/C13H21N3O3/c1-10-7-12(17)16(19-10)13(18)9-15-6-4-3-5-11(15)8-14-2/h7,11,14H,3-6,8-9H2,1-2H3
InChIKeyZAZVVEFOJKHZDX-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.46
Rot. Bonds4

About 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one

5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one (PubChem CID 55167972) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one
PubChem CID55167972
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one
SMILESCNCC1CCCCN1CC(=O)n1oc(C)cc1=O
InChIInChI=1S/C13H21N3O3/c1-10-7-12(17)16(19-10)13(18)9-15-6-4-3-5-11(15)8-14-2/h7,11,14H,3-6,8-9H2,1-2H3
InChIKeyZAZVVEFOJKHZDX-UHFFFAOYSA-N
XLogP0.46
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1,2-oxazol-3-one
CID 113285347
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(1-phenylethyl)acetamide
CID 63250347
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
1-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]piperidine-3-carboxamide
CID 63250205
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
CID 63250167

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one?
The IUPAC name of 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one (CID 55167972) is 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one is CNCC1CCCCN1CC(=O)n1oc(C)cc1=O.
What is the InChIKey of 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one?
The InChIKey is ZAZVVEFOJKHZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10-7-12(17)16(19-10)13(18)9-15-6-4-3-5-11(15)8-14-2/h7,11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one?
5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]-1,2-oxazol-3-one is sourced from PubChem (CID 55167972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).