2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone

C16H26N4O3 — CID 53192022

IUPAC2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOCc1noc(C2CCCCN2CC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H26N4O3/c1-22-12-14-17-16(23-18-14)13-7-3-6-10-20(13)11-15(21)19-8-4-2-5-9-19/h13H,2-12H2,1H3
InChIKeyJTEZFEIFALYLHZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.76
Rot. Bonds5

About 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone

2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 53192022) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID53192022
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCOCc1noc(C2CCCCN2CC(=O)N2CCCCC2)n1
InChIInChI=1S/C16H26N4O3/c1-22-12-14-17-16(23-18-14)13-7-3-6-10-20(13)11-15(21)19-8-4-2-5-9-19/h13H,2-12H2,1H3
InChIKeyJTEZFEIFALYLHZ-UHFFFAOYSA-N
XLogP1.76
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-ethoxy-1-[(2R)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110664
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95110675
1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-methoxyethanone
CID 56728217
[(2S)-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 95110670
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53191887
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91836326
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472
2-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 95180415
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone (CID 53192022) is 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone is COCc1noc(C2CCCCN2CC(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JTEZFEIFALYLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-22-12-14-17-16(23-18-14)13-7-3-6-10-20(13)11-15(21)19-8-4-2-5-9-19/h13H,2-12H2,1H3.
What are the key properties of 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 322.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 53192022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).