5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole

C18H20N4O2 — CID 56907304

IUPAC5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
SMILESc1cncc(COC2CCCN(Cc3ccc4nonc4c3)C2)c1
InChIInChI=1S/C18H20N4O2/c1-3-15(10-19-7-1)13-23-16-4-2-8-22(12-16)11-14-5-6-17-18(9-14)21-24-20-17/h1,3,5-7,9-10,16H,2,4,8,11-13H2
InChIKeyKLAHDPYKODFNLJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.80
Rot. Bonds5

About 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole

5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole (PubChem CID 56907304) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
PubChem CID56907304
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
SMILESc1cncc(COC2CCCN(Cc3ccc4nonc4c3)C2)c1
InChIInChI=1S/C18H20N4O2/c1-3-15(10-19-7-1)13-23-16-4-2-8-22(12-16)11-14-5-6-17-18(9-14)21-24-20-17/h1,3,5-7,9-10,16H,2,4,8,11-13H2
InChIKeyKLAHDPYKODFNLJ-UHFFFAOYSA-N
XLogP2.80
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95722499
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
3-(4-chlorophenyl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42100655
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543
3-(1,3-benzodioxol-5-yl)-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 42241704

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
The IUPAC name of 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole (CID 56907304) is 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
The canonical SMILES for 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole is c1cncc(COC2CCCN(Cc3ccc4nonc4c3)C2)c1.
What is the InChIKey of 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
The InChIKey is KLAHDPYKODFNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-15(10-19-7-1)13-23-16-4-2-8-22(12-16)11-14-5-6-17-18(9-14)21-24-20-17/h1,3,5-7,9-10,16H,2,4,8,11-13H2.
What are the key properties of 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole?
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole has a molecular weight of 324.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole is sourced from PubChem (CID 56907304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).