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

C11H20N4O — CID 63249055

IUPACN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2nnc(C)o2)CC1
InChIInChI=1S/C11H20N4O/c1-9-13-14-11(16-9)8-15-5-3-10(4-6-15)7-12-2/h10,12H,3-8H2,1-2H3
InChIKeyCOEXRPZDMDAIAU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.81
Rot. Bonds4

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

N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine (PubChem CID 63249055) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
PubChem CID63249055
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine
SMILESCNCC1CCN(Cc2nnc(C)o2)CC1
InChIInChI=1S/C11H20N4O/c1-9-13-14-11(16-9)8-15-5-3-10(4-6-15)7-12-2/h10,12H,3-8H2,1-2H3
InChIKeyCOEXRPZDMDAIAU-UHFFFAOYSA-N
XLogP0.81
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine (CID 63249055) is N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine is CNCC1CCN(Cc2nnc(C)o2)CC1.
What is the InChIKey of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine?
The InChIKey is COEXRPZDMDAIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-13-14-11(16-9)8-15-5-3-10(4-6-15)7-12-2/h10,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine?
N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine has a molecular weight of 224.31 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 63249055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).