3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole

C15H20N4O2 — CID 135101327

IUPAC3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C15H20N4O2/c1-12-15(18-21-17-12)10-19-8-4-6-14(9-19)20-11-13-5-2-3-7-16-13/h2-3,5,7,14H,4,6,8-11H2,1H3
InChIKeyVPMRBXRUOVGWRC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.95
Rot. Bonds5

About 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole

3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 135101327) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID135101327
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCc1nonc1CN1CCCC(OCc2ccccn2)C1
InChIInChI=1S/C15H20N4O2/c1-12-15(18-21-17-12)10-19-8-4-6-14(9-19)20-11-13-5-2-3-7-16-13/h2-3,5,7,14H,4,6,8-11H2,1H3
InChIKeyVPMRBXRUOVGWRC-UHFFFAOYSA-N
XLogP1.95
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073
2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
2-[[(3R)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperidin-3-yl]oxymethyl]pyridine
CID 125167692
2-[[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56904179
2-[[(3S)-1-[(4-pyridin-3-ylphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 95729769
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-3-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazole
CID 45203283
7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157017052
6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
5,7-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 131912188
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 131940472

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole (CID 135101327) is 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole is Cc1nonc1CN1CCCC(OCc2ccccn2)C1.
What is the InChIKey of 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is VPMRBXRUOVGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12-15(18-21-17-12)10-19-8-4-6-14(9-19)20-11-13-5-2-3-7-16-13/h2-3,5,7,14H,4,6,8-11H2,1H3.
What are the key properties of 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole?
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 135101327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).