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

C19H32N4O3 — CID 56741111

IUPAC1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
SMILESCc1nc(CCNCC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C19H32N4O3/c1-15-21-17(22-26-15)8-11-20-14-19(25)10-5-12-23(18(19)24)13-9-16-6-3-2-4-7-16/h16,20,25H,2-14H2,1H3
InChIKeyDIJUWHYAEWDWNK-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.83
Rot. Bonds8

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

1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one (PubChem CID 56741111) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
PubChem CID56741111
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
SMILESCc1nc(CCNCC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C19H32N4O3/c1-15-21-17(22-26-15)8-11-20-14-19(25)10-5-12-23(18(19)24)13-9-16-6-3-2-4-7-16/h16,20,25H,2-14H2,1H3
InChIKeyDIJUWHYAEWDWNK-UHFFFAOYSA-N
XLogP1.83
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one (CID 56741111) is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one is Cc1nc(CCNCC2(O)CCCN(CCC3CCCCC3)C2=O)no1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one?
The InChIKey is DIJUWHYAEWDWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-15-21-17(22-26-15)8-11-20-14-19(25)10-5-12-23(18(19)24)13-9-16-6-3-2-4-7-16/h16,20,25H,2-14H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one?
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one has a molecular weight of 364.49 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one is sourced from PubChem (CID 56741111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).