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

C12H22N4O — CID 79535946

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCc1noc(CNC(C)CC2CCCCN2)n1
InChIInChI=1S/C12H22N4O/c1-9(7-11-5-3-4-6-13-11)14-8-12-15-10(2)16-17-12/h9,11,13-14H,3-8H2,1-2H3
InChIKeyAYSOIHYXXIHVPP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.39
Rot. Bonds5

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79535946) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79535946
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCc1noc(CNC(C)CC2CCCCN2)n1
InChIInChI=1S/C12H22N4O/c1-9(7-11-5-3-4-6-13-11)14-8-12-15-10(2)16-17-12/h9,11,13-14H,3-8H2,1-2H3
InChIKeyAYSOIHYXXIHVPP-UHFFFAOYSA-N
XLogP1.39
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541452
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 114179950
1-(azepan-2-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propan-2-amine
CID 79559984
N-(1,2-oxazol-5-ylmethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 106415263
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
1-(azepan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 79560554
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79548794
N-[(5-methylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540310
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106419937

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine (CID 79535946) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine is Cc1noc(CNC(C)CC2CCCCN2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is AYSOIHYXXIHVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(7-11-5-3-4-6-13-11)14-8-12-15-10(2)16-17-12/h9,11,13-14H,3-8H2,1-2H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79535946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).