N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide

C21H34N4O4 — CID 10158267

IUPACN-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)c1noc(=O)n1C1CCN(C)CC1
InChIInChI=1S/C21H34N4O4/c1-14(2)13-17(22-20(27)15-7-5-4-6-8-15)18(26)19-23-29-21(28)25(19)16-9-11-24(3)12-10-16/h14-17H,4-13H2,1-3H3,(H,22,27)
InChIKeyAANNVKJAADALNX-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.40
Rot. Bonds7

About N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide

N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide (PubChem CID 10158267) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide
PubChem CID10158267
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC NameN-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCC(C)CC(NC(=O)C1CCCCC1)C(=O)c1noc(=O)n1C1CCN(C)CC1
InChIInChI=1S/C21H34N4O4/c1-14(2)13-17(22-20(27)15-7-5-4-6-8-15)18(26)19-23-29-21(28)25(19)16-9-11-24(3)12-10-16/h14-17H,4-13H2,1-3H3,(H,22,27)
InChIKeyAANNVKJAADALNX-UHFFFAOYSA-N
XLogP2.40
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide (CID 10158267) is N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide is CC(C)CC(NC(=O)C1CCCCC1)C(=O)c1noc(=O)n1C1CCN(C)CC1.
What is the InChIKey of N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide?
The InChIKey is AANNVKJAADALNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-14(2)13-17(22-20(27)15-7-5-4-6-8-15)18(26)19-23-29-21(28)25(19)16-9-11-24(3)12-10-16/h14-17H,4-13H2,1-3H3,(H,22,27).
What are the key properties of N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide?
N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[4-(1-methylpiperidin-4-yl)-5-oxo-1,2,4-oxadiazol-3-yl]-1-oxopentan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 10158267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).