6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine

C14H26N4O — CID 116807269

IUPAC6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc(N2CCCCC2)no1
InChIInChI=1S/C14H26N4O/c1-11(7-6-8-12(2)15)13-16-14(17-19-13)18-9-4-3-5-10-18/h11-12H,3-10,15H2,1-2H3
InChIKeyJCXOHFVXSYVIHN-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.68
Rot. Bonds6

About 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine

6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine (PubChem CID 116807269) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
PubChem CID116807269
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc(N2CCCCC2)no1
InChIInChI=1S/C14H26N4O/c1-11(7-6-8-12(2)15)13-16-14(17-19-13)18-9-4-3-5-10-18/h11-12H,3-10,15H2,1-2H3
InChIKeyJCXOHFVXSYVIHN-UHFFFAOYSA-N
XLogP2.68
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510
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-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915584
3-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 116809180
(1R)-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 107565624
N-ethyl-2-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807179
2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 116808114
(1S)-3-methylsulfanyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104909677
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
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
The IUPAC name of 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine (CID 116807269) is 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine.
What is the SMILES notation for 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
The canonical SMILES for 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine is CC(N)CCCC(C)c1nc(N2CCCCC2)no1.
What is the InChIKey of 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
The InChIKey is JCXOHFVXSYVIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(7-6-8-12(2)15)13-16-14(17-19-13)18-9-4-3-5-10-18/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine?
6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)heptan-2-amine is sourced from PubChem (CID 116807269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).