1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one

C14H23N3O4 — CID 163338329

IUPAC1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OCc2nc(CCOC)no2)CC1
InChIInChI=1S/C14H23N3O4/c1-3-14(18)17-7-4-11(5-8-17)20-10-13-15-12(16-21-13)6-9-19-2/h11H,3-10H2,1-2H3
InChIKeyYKTXUNBYKXKPGW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.18
Rot. Bonds7

About 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one

1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one (PubChem CID 163338329) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
PubChem CID163338329
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OCc2nc(CCOC)no2)CC1
InChIInChI=1S/C14H23N3O4/c1-3-14(18)17-7-4-11(5-8-17)20-10-13-15-12(16-21-13)6-9-19-2/h11H,3-10H2,1-2H3
InChIKeyYKTXUNBYKXKPGW-UHFFFAOYSA-N
XLogP1.18
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]ethanone
CID 163339057
N-(4-ethylphenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxamide
CID 163339676
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-methylpiperidine-1-carboxamide
CID 110204028
(2,4-difluorophenyl)-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]methanone
CID 163339027
azetidin-1-yl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methanone
CID 166270081
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
3-(2-methoxyethyl)-5-[[1-(thiophen-3-ylmethyl)piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
CID 87053264
2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163338975
ethyl 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475312
3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984688
1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]prop-2-en-1-one
CID 126831922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one (CID 163338329) is 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OCc2nc(CCOC)no2)CC1.
What is the InChIKey of 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one?
The InChIKey is YKTXUNBYKXKPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-14(18)17-7-4-11(5-8-17)20-10-13-15-12(16-21-13)6-9-19-2/h11H,3-10H2,1-2H3.
What are the key properties of 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one?
1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one has a molecular weight of 297.36 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 163338329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).