2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

C15H25N3O3 — CID 136551180

IUPAC2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)(CO)C(=O)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C15H25N3O3/c1-4-15(5-2,10-19)14(20)18-8-6-12(7-9-18)13-16-11(3)17-21-13/h12,19H,4-10H2,1-3H3
InChIKeyOQCCNPYQUJMAOU-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.88
Rot. Bonds5

About 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one

2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (PubChem CID 136551180) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
PubChem CID136551180
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
SMILESCCC(CC)(CO)C(=O)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C15H25N3O3/c1-4-15(5-2,10-19)14(20)18-8-6-12(7-9-18)13-16-11(3)17-21-13/h12,19H,4-10H2,1-3H3
InChIKeyOQCCNPYQUJMAOU-UHFFFAOYSA-N
XLogP1.88
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

2-[4-[[Methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 56802561
2-Methyl-1-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 73440219
1-[4-Methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 118740090
N,N-dimethyl-4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72891506
[1-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanol
CID 52274453
(3S*,4R*)-1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(hydroxymethyl)-3-piperidinol
CID 56904851
1-Ethyl-4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 72851053
1,4-Dimethyl-4-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]piperidine
CID 72878981
4-[3-(2-Fluoropropan-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 66826112
[(3R,4S)-3-fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol
CID 70648028
[3-Fluoro-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methanol
CID 77888837
2,2,2-Trifluoro-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 112326807

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one (CID 136551180) is 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is CCC(CC)(CO)C(=O)N1CCC(c2nc(C)no2)CC1.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
The InChIKey is OQCCNPYQUJMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-4-15(5-2,10-19)14(20)18-8-6-12(7-9-18)13-16-11(3)17-21-13/h12,19H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one?
2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one has a molecular weight of 295.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 136551180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).