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

C13H21N3O2 — CID 103441091

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(C)CC2CN)o1
InChIInChI=1S/C13H21N3O2/c1-8-4-5-16(11(6-8)7-14)13(17)12-9(2)15-10(3)18-12/h8,11H,4-7,14H2,1-3H3
InChIKeyWYEJPXFKIDPGGZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.49
Rot. Bonds2

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

[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (PubChem CID 103441091) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
PubChem CID103441091
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC(C)CC2CN)o1
InChIInChI=1S/C13H21N3O2/c1-8-4-5-16(11(6-8)7-14)13(17)12-9(2)15-10(3)18-12/h8,11H,4-7,14H2,1-3H3
InChIKeyWYEJPXFKIDPGGZ-UHFFFAOYSA-N
XLogP1.49
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone (CID 103441091) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCC(C)CC2CN)o1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
The InChIKey is WYEJPXFKIDPGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-4-5-16(11(6-8)7-14)13(17)12-9(2)15-10(3)18-12/h8,11H,4-7,14H2,1-3H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone has a molecular weight of 251.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 103441091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).