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

C15H20N4O — CID 62545982

IUPACN-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H20N4O/c1-16-13-8-5-9-19(10-13)11-14-17-15(20-18-14)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3
InChIKeyYLGARKSEHYMYIZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.92
Rot. Bonds4

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

N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (PubChem CID 62545982) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
PubChem CID62545982
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C15H20N4O/c1-16-13-8-5-9-19(10-13)11-14-17-15(20-18-14)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3
InChIKeyYLGARKSEHYMYIZ-UHFFFAOYSA-N
XLogP1.92
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (CID 62545982) is N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is CNC1CCCN(Cc2noc(-c3ccccc3)n2)C1.
What is the InChIKey of N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is YLGARKSEHYMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-16-13-8-5-9-19(10-13)11-14-17-15(20-18-14)12-6-3-2-4-7-12/h2-4,6-7,13,16H,5,8-11H2,1H3.
What are the key properties of N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 272.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 62545982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).