N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide

C20H31N3O3 — CID 70865040

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCCN2C(=O)C2CCCCC2)no1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h13-15H,4-12H2,1-3H3,(H,21,22,24)
InChIKeyXXKNGBVKRHUNIU-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.87
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide (PubChem CID 70865040) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
PubChem CID70865040
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CCCCN2C(=O)C2CCCCC2)no1
InChIInChI=1S/C20H31N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h13-15H,4-12H2,1-3H3,(H,21,22,24)
InChIKeyXXKNGBVKRHUNIU-UHFFFAOYSA-N
XLogP3.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide (CID 70865040) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2CCCCN2C(=O)C2CCCCC2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide?
The InChIKey is XXKNGBVKRHUNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-20(2,3)16-13-17(22-26-16)21-18(24)15-11-7-8-12-23(15)19(25)14-9-5-4-6-10-14/h13-15H,4-12H2,1-3H3,(H,21,22,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 70865040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).