1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H22N4O — CID 115078416

IUPAC1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(CC2CCCCN2C)n1
InChIInChI=1S/C12H22N4O/c1-9(13)7-11-14-12(17-15-11)8-10-5-3-4-6-16(10)2/h9-10H,3-8,13H2,1-2H3
InChIKeyVHAJIZDFRKOECB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds4

About 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 115078416) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID115078416
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(CC2CCCCN2C)n1
InChIInChI=1S/C12H22N4O/c1-9(13)7-11-14-12(17-15-11)8-10-5-3-4-6-16(10)2/h9-10H,3-8,13H2,1-2H3
InChIKeyVHAJIZDFRKOECB-UHFFFAOYSA-N
XLogP0.99
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562
N-methyl-3-[3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081650
4-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115414370
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397
1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078600
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081137
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
5-[(1-methylpiperidin-2-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115078349
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
5-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846782
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 115078416) is 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(CC2CCCCN2C)n1.
What is the InChIKey of 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is VHAJIZDFRKOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(13)7-11-14-12(17-15-11)8-10-5-3-4-6-16(10)2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 115078416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).