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

C18H29N5O4 — CID 56758642

IUPAC5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CNCC2(O)CCCN(CCC3CCCCC3)C2=O)n1
InChIInChI=1S/C18H29N5O4/c19-15(24)16-21-14(27-22-16)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)
InChIKeyIYRXCIWIZWLUAS-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.58
Rot. Bonds8

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

5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 56758642) has the molecular formula C18H29N5O4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID56758642
Molecular FormulaC18H29N5O4
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC Name5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(CNCC2(O)CCCN(CCC3CCCCC3)C2=O)n1
InChIInChI=1S/C18H29N5O4/c19-15(24)16-21-14(27-22-16)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)
InChIKeyIYRXCIWIZWLUAS-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

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

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Related Compounds

1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56741111
(3S)-1-(2-cyclohexylethyl)-3-[(furan-3-ylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 95212679
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95205891
N-tert-butyl-2-[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]acetamide
CID 95217540
1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-hydroxy-1-methylpiperidin-4-yl)methylamino]methyl]piperidin-2-one
CID 56738972
1-(2-cyclohexylethyl)-3-hydroxy-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45235783
3-[2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 56748802
5-[[[(3S)-1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-N-methylfuran-2-carboxamide
CID 95216293
1-(2-cyclohexylethyl)-3-hydroxy-3-[[2-(4-methyltriazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56742524
2-[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56739031
1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 56755210
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide (CID 56758642) is 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(CNCC2(O)CCCN(CCC3CCCCC3)C2=O)n1.
What is the InChIKey of 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IYRXCIWIZWLUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4/c19-15(24)16-21-14(27-22-16)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 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide?
5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-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 5-[[[1-(2-cyclohexylethyl)-3-hydroxy-2-oxopiperidin-3-yl]methylamino]methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 56758642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).