3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine

C12H22N4O — CID 116809180

IUPAC3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
SMILESCCC(c1nc(N2CCCCC2)no1)C(C)N
InChIInChI=1S/C12H22N4O/c1-3-10(9(2)13)11-14-12(15-17-11)16-7-5-4-6-8-16/h9-10H,3-8,13H2,1-2H3
InChIKeyROHCKXXNDRFOLF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.90
Rot. Bonds4

About 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine

3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine (PubChem CID 116809180) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine.

Molecular Properties

Compound Name3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
PubChem CID116809180
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
SMILESCCC(c1nc(N2CCCCC2)no1)C(C)N
InChIInChI=1S/C12H22N4O/c1-3-10(9(2)13)11-14-12(15-17-11)16-7-5-4-6-8-16/h9-10H,3-8,13H2,1-2H3
InChIKeyROHCKXXNDRFOLF-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 116808910
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
(1R)-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565626
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 116807269
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116807974
N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807179
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The IUPAC name of 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine (CID 116809180) is 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine.
What is the SMILES notation for 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The canonical SMILES for 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine is CCC(c1nc(N2CCCCC2)no1)C(C)N.
What is the InChIKey of 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
The InChIKey is ROHCKXXNDRFOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-10(9(2)13)11-14-12(15-17-11)16-7-5-4-6-8-16/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine?
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine is sourced from PubChem (CID 116809180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).