3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one

C16H21N3O4 — CID 16675000

IUPAC3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
SMILESCc1occc1-c1nn(CC(=O)N2CC(C)CC(C)C2)c(=O)o1
InChIInChI=1S/C16H21N3O4/c1-10-6-11(2)8-18(7-10)14(20)9-19-16(21)23-15(17-19)13-4-5-22-12(13)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRVUYZLMVPPSPHS-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.91
Rot. Bonds3

About 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one (PubChem CID 16675000) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
PubChem CID16675000
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one
SMILESCc1occc1-c1nn(CC(=O)N2CC(C)CC(C)C2)c(=O)o1
InChIInChI=1S/C16H21N3O4/c1-10-6-11(2)8-18(7-10)14(20)9-19-16(21)23-15(17-19)13-4-5-22-12(13)3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRVUYZLMVPPSPHS-UHFFFAOYSA-N
XLogP1.91
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(furan-2-yl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-oxadiazol-2-one
CID 17407849
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-5-(3-pyrrol-1-ylphenyl)-1,3,4-oxadiazol-2-one
CID 6490110
2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683252
2-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94683251
ethyl 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651264
10-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-oxobutyl]-12-methyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one
CID 92701661
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46448814
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
CID 136513641
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
CID 95808452

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one (CID 16675000) is 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one is Cc1occc1-c1nn(CC(=O)N2CC(C)CC(C)C2)c(=O)o1.
What is the InChIKey of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
The InChIKey is RVUYZLMVPPSPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-6-11(2)8-18(7-10)14(20)9-19-16(21)23-15(17-19)13-4-5-22-12(13)3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one?
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one has a molecular weight of 319.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 16675000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).