3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one

C14H24N4O4 — CID 56713911

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN(C)Cc2noc(C)n2)C1=O
InChIInChI=1S/C14H24N4O4/c1-11-15-12(16-22-11)9-17(2)10-14(20)5-4-6-18(13(14)19)7-8-21-3/h20H,4-10H2,1-3H3
InChIKeyMHCVZBHIXQELBT-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.19
Rot. Bonds7

About 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one

3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one (PubChem CID 56713911) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
PubChem CID56713911
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN(C)Cc2noc(C)n2)C1=O
InChIInChI=1S/C14H24N4O4/c1-11-15-12(16-22-11)9-17(2)10-14(20)5-4-6-18(13(14)19)7-8-21-3/h20H,4-10H2,1-3H3
InChIKeyMHCVZBHIXQELBT-UHFFFAOYSA-N
XLogP-0.19
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one (CID 56713911) is 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one is COCCN1CCCC(O)(CN(C)Cc2noc(C)n2)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
The InChIKey is MHCVZBHIXQELBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-11-15-12(16-22-11)9-17(2)10-14(20)5-4-6-18(13(14)19)7-8-21-3/h20H,4-10H2,1-3H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one has a molecular weight of 312.37 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(2-methoxyethyl)-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one is sourced from PubChem (CID 56713911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).