(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine

C15H22N6O2 — CID 95322953

IUPAC(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOCCc1noc(CN[C@@H]2CCCN(c3cccnn3)C2)n1
InChIInChI=1S/C15H22N6O2/c1-22-9-6-13-18-15(23-20-13)10-16-12-4-3-8-21(11-12)14-5-2-7-17-19-14/h2,5,7,12,16H,3-4,6,8-11H2,1H3/t12-/m1/s1
InChIKeyJAOPJYCLBDDRGC-GFCCVEGCSA-N
MW318.38 g/mol
LogP0.81
Rot. Bonds7

About (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 95322953) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID95322953
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCOCCc1noc(CN[C@@H]2CCCN(c3cccnn3)C2)n1
InChIInChI=1S/C15H22N6O2/c1-22-9-6-13-18-15(23-20-13)10-16-12-4-3-8-21(11-12)14-5-2-7-17-19-14/h2,5,7,12,16H,3-4,6,8-11H2,1H3/t12-/m1/s1
InChIKeyJAOPJYCLBDDRGC-GFCCVEGCSA-N
XLogP0.81
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 95322953) is (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine is COCCc1noc(CN[C@@H]2CCCN(c3cccnn3)C2)n1.
What is the InChIKey of (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is JAOPJYCLBDDRGC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-22-9-6-13-18-15(23-20-13)10-16-12-4-3-8-21(11-12)14-5-2-7-17-19-14/h2,5,7,12,16H,3-4,6,8-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 318.38 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 95322953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).