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

C19H32N4O4 — CID 56742000

IUPAC3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(c3nc(C(C)C)no3)CC2)C1=O
InChIInChI=1S/C19H32N4O4/c1-14(2)16-20-17(27-21-16)15-5-9-22(10-6-15)13-19(25)7-4-8-23(18(19)24)11-12-26-3/h14-15,25H,4-13H2,1-3H3
InChIKeyCKZLMFRVGIAGBM-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.37
Rot. Bonds7

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

3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one (PubChem CID 56742000) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one
PubChem CID56742000
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one
SMILESCOCCN1CCCC(O)(CN2CCC(c3nc(C(C)C)no3)CC2)C1=O
InChIInChI=1S/C19H32N4O4/c1-14(2)16-20-17(27-21-16)15-5-9-22(10-6-15)13-19(25)7-4-8-23(18(19)24)11-12-26-3/h14-15,25H,4-13H2,1-3H3
InChIKeyCKZLMFRVGIAGBM-UHFFFAOYSA-N
XLogP1.37
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.37
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-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one (CID 56742000) is 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one is COCCN1CCCC(O)(CN2CCC(c3nc(C(C)C)no3)CC2)C1=O.
What is the InChIKey of 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one?
The InChIKey is CKZLMFRVGIAGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-14(2)16-20-17(27-21-16)15-5-9-22(10-6-15)13-19(25)7-4-8-23(18(19)24)11-12-26-3/h14-15,25H,4-13H2,1-3H3.
What are the key properties of 3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one?
3-hydroxy-1-(2-methoxyethyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 1.37, 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-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 56742000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).