N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine

C14H24N4O — CID 106965446

IUPACN-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCC1CC(C)C(C)N(c2nnc(CNC3CC3)o2)C1
InChIInChI=1S/C14H24N4O/c1-9-6-10(2)11(3)18(8-9)14-17-16-13(19-14)7-15-12-4-5-12/h9-12,15H,4-8H2,1-3H3
InChIKeyAQZNTTPAYPFREY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.19
Rot. Bonds4

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

N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 106965446) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID106965446
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCC1CC(C)C(C)N(c2nnc(CNC3CC3)o2)C1
InChIInChI=1S/C14H24N4O/c1-9-6-10(2)11(3)18(8-9)14-17-16-13(19-14)7-15-12-4-5-12/h9-12,15H,4-8H2,1-3H3
InChIKeyAQZNTTPAYPFREY-UHFFFAOYSA-N
XLogP2.19
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 106965446) is N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is CC1CC(C)C(C)N(c2nnc(CNC3CC3)o2)C1.
What is the InChIKey of N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is AQZNTTPAYPFREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-6-10(2)11(3)18(8-9)14-17-16-13(19-14)7-15-12-4-5-12/h9-12,15H,4-8H2,1-3H3.
What are the key properties of N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 264.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,5-trimethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106965446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).