2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide

C13H22N4O2 — CID 60568325

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C13H22N4O2/c1-3-6-14-12(18)9-17-7-4-11(5-8-17)13-15-10(2)16-19-13/h11H,3-9H2,1-2H3,(H,14,18)
InChIKeyNCTCLQQWIABJHZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds5

About 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide (PubChem CID 60568325) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide
PubChem CID60568325
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C13H22N4O2/c1-3-6-14-12(18)9-17-7-4-11(5-8-17)13-15-10(2)16-19-13/h11H,3-9H2,1-2H3,(H,14,18)
InChIKeyNCTCLQQWIABJHZ-UHFFFAOYSA-N
XLogP1.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide (CID 60568325) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(c2nc(C)no2)CC1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide?
The InChIKey is NCTCLQQWIABJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-6-14-12(18)9-17-7-4-11(5-8-17)13-15-10(2)16-19-13/h11H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 60568325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).