3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide

C14H22N4O4 — CID 132948213

IUPAC3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(OC)CCCN(C(=O)c2nonc2C)C1
InChIInChI=1S/C14H22N4O4/c1-10-12(17-22-16-10)13(20)18-8-4-6-14(9-18,21-3)7-5-11(19)15-2/h4-9H2,1-3H3,(H,15,19)
InChIKeyHDBRTAGVSVWPLW-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.53
Rot. Bonds5

About 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide

3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide (PubChem CID 132948213) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
PubChem CID132948213
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(OC)CCCN(C(=O)c2nonc2C)C1
InChIInChI=1S/C14H22N4O4/c1-10-12(17-22-16-10)13(20)18-8-4-6-14(9-18,21-3)7-5-11(19)15-2/h4-9H2,1-3H3,(H,15,19)
InChIKeyHDBRTAGVSVWPLW-UHFFFAOYSA-N
XLogP0.53
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide (CID 132948213) is 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide is CNC(=O)CCC1(OC)CCCN(C(=O)c2nonc2C)C1.
What is the InChIKey of 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide?
The InChIKey is HDBRTAGVSVWPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10-12(17-22-16-10)13(20)18-8-4-6-14(9-18,21-3)7-5-11(19)15-2/h4-9H2,1-3H3,(H,15,19).
What are the key properties of 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide?
3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 132948213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).