4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one

C13H21N3O3 — CID 146082801

IUPAC4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCCCC1C
InChIInChI=1S/C13H21N3O3/c1-9(2)12-14-19-13(18)16(12)8-11(17)15-7-5-4-6-10(15)3/h9-10H,4-8H2,1-3H3
InChIKeyQTMVADGWTIBKOW-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.36
Rot. Bonds3

About 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one

4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 146082801) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
PubChem CID146082801
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one
SMILESCC(C)c1noc(=O)n1CC(=O)N1CCCCC1C
InChIInChI=1S/C13H21N3O3/c1-9(2)12-14-19-13(18)16(12)8-11(17)15-7-5-4-6-10(15)3/h9-10H,4-8H2,1-3H3
InChIKeyQTMVADGWTIBKOW-UHFFFAOYSA-N
XLogP1.36
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one (CID 146082801) is 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one is CC(C)c1noc(=O)n1CC(=O)N1CCCCC1C.
What is the InChIKey of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is QTMVADGWTIBKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)12-14-19-13(18)16(12)8-11(17)15-7-5-4-6-10(15)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one?
4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 267.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-3-propan-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 146082801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).