N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide

C14H26N2O3 — CID 47340962

IUPACN-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)C2COCCO2)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16-6-4-11(5-7-16)15-13(17)12-10-18-8-9-19-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyXSTSGYSILRTWGA-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds2

About N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide

N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide (PubChem CID 47340962) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide
PubChem CID47340962
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide
SMILESCC(C)(C)N1CCC(NC(=O)C2COCCO2)CC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16-6-4-11(5-7-16)15-13(17)12-10-18-8-9-19-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyXSTSGYSILRTWGA-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-1,4-dioxane-2-carboxamide
CID 43427952
N-piperidin-4-yl-1,4-dioxane-2-carboxamide
CID 43662827
3-(1,4-dioxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 63044373
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
2-amino-N-(1-tert-butylpiperidin-4-yl)-2-methylpropanamide
CID 61264639
(2R)-N-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,4-dioxane-2-carboxamide
CID 95137904
N-(1-tert-butylpiperidin-4-yl)-3-chloro-2,2-dimethylpropanamide
CID 63681125
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
N-(1-tert-butylpiperidin-4-yl)-3-methylpyrrolidine-2-carboxamide
CID 102778405
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(oxan-4-yl)oxolane-2-carboxamide
CID 110726803

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide (CID 47340962) is N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide is CC(C)(C)N1CCC(NC(=O)C2COCCO2)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is XSTSGYSILRTWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)16-6-4-11(5-7-16)15-13(17)12-10-18-8-9-19-12/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide?
N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 47340962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).