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

C13H21N3O3 — CID 103441084

IUPAC[2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC(C)CC2CN)no1
InChIInChI=1S/C13H21N3O3/c1-9-3-4-16(10(5-9)7-14)13(17)12-6-11(8-18-2)19-15-12/h6,9-10H,3-5,7-8,14H2,1-2H3
InChIKeyFUNRLVRFYVILHT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.02
Rot. Bonds4

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

[2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 103441084) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID103441084
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name[2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCC(C)CC2CN)no1
InChIInChI=1S/C13H21N3O3/c1-9-3-4-16(10(5-9)7-14)13(17)12-6-11(8-18-2)19-15-12/h6,9-10H,3-5,7-8,14H2,1-2H3
InChIKeyFUNRLVRFYVILHT-UHFFFAOYSA-N
XLogP1.02
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 103441084) is [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCC(C)CC2CN)no1.
What is the InChIKey of [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is FUNRLVRFYVILHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-3-4-16(10(5-9)7-14)13(17)12-6-11(8-18-2)19-15-12/h6,9-10H,3-5,7-8,14H2,1-2H3.
What are the key properties of [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 267.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 103441084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).