3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

C18H29N5O4 — CID 56744524

IUPAC3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(CNCC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C18H29N5O4/c19-15(24)16-21-14(22-27-16)11-20-12-18(26)8-4-9-23(17(18)25)10-7-13-5-2-1-3-6-13/h13,20,26H,1-12H2,(H2,19,24)
InChIKeyPZECWNKKYMYBCY-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.58
Rot. Bonds8

About 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 56744524) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID56744524
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(CNCC2(O)CCCN(CCC3CCCCC3)C2=O)no1
InChIInChI=1S/C18H29N5O4/c19-15(24)16-21-14(22-27-16)11-20-12-18(26)8-4-9-23(17(18)25)10-7-13-5-2-1-3-6-13/h13,20,26H,1-12H2,(H2,19,24)
InChIKeyPZECWNKKYMYBCY-UHFFFAOYSA-N
XLogP0.58
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 56744524) is 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(CNCC2(O)CCCN(CCC3CCCCC3)C2=O)no1.
What is the InChIKey of 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is PZECWNKKYMYBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c19-15(24)16-21-14(22-27-16)11-20-12-18(26)8-4-9-23(17(18)25)10-7-13-5-2-1-3-6-13/h13,20,26H,1-12H2,(H2,19,24).
What are the key properties of 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 56744524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).