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

C11H20N4O — CID 115716903

IUPAC1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1noc(CNC2CCN(C)CC2C)n1
InChIInChI=1S/C11H20N4O/c1-8-7-15(3)5-4-10(8)12-6-11-13-9(2)14-16-11/h8,10,12H,4-7H2,1-3H3
InChIKeyTXLDZGZKXAQOJQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.81
Rot. Bonds3

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

1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 115716903) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID115716903
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1noc(CNC2CCN(C)CC2C)n1
InChIInChI=1S/C11H20N4O/c1-8-7-15(3)5-4-10(8)12-6-11-13-9(2)14-16-11/h8,10,12H,4-7H2,1-3H3
InChIKeyTXLDZGZKXAQOJQ-UHFFFAOYSA-N
XLogP0.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 115716903) is 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is Cc1noc(CNC2CCN(C)CC2C)n1.
What is the InChIKey of 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is TXLDZGZKXAQOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-7-15(3)5-4-10(8)12-6-11-13-9(2)14-16-11/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115716903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).