1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

C20H34N4O3 — CID 56738143

IUPAC1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCCc1nc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C20H34N4O3/c1-3-18-21-17(22-27-18)14-23(2)15-20(26)11-7-12-24(19(20)25)13-10-16-8-5-4-6-9-16/h16,26H,3-15H2,1-2H3
InChIKeyCPCGCVGSQPUIEH-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.39
Rot. Bonds8

About 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one

1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (PubChem CID 56738143) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
PubChem CID56738143
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
SMILESCCc1nc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C20H34N4O3/c1-3-18-21-17(22-27-18)14-23(2)15-20(26)11-7-12-24(19(20)25)13-10-16-8-5-4-6-9-16/h16,26H,3-15H2,1-2H3
InChIKeyCPCGCVGSQPUIEH-UHFFFAOYSA-N
XLogP2.39
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one (CID 56738143) is 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is CCc1nc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)no1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
The InChIKey is CPCGCVGSQPUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-3-18-21-17(22-27-18)14-23(2)15-20(26)11-7-12-24(19(20)25)13-10-16-8-5-4-6-9-16/h16,26H,3-15H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one?
1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one has a molecular weight of 378.52 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 56738143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).