N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide

C16H30N2O4 — CID 20656294

IUPACN-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NC1CC(C)(C)N(C=O)C(C)(C)C1
InChIInChI=1S/C16H30N2O4/c1-14(2,9-19)12(21)13(22)17-11-7-15(3,4)18(10-20)16(5,6)8-11/h10-12,19,21H,7-9H2,1-6H3,(H,17,22)
InChIKeyJCFRXUQPHABOQE-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.66
Rot. Bonds5

About N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide

N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 20656294) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID20656294
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC NameN-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NC1CC(C)(C)N(C=O)C(C)(C)C1
InChIInChI=1S/C16H30N2O4/c1-14(2,9-19)12(21)13(22)17-11-7-15(3,4)18(10-20)16(5,6)8-11/h10-12,19,21H,7-9H2,1-6H3,(H,17,22)
InChIKeyJCFRXUQPHABOQE-UHFFFAOYSA-N
XLogP0.66
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide (CID 20656294) is N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)C(O)C(=O)NC1CC(C)(C)N(C=O)C(C)(C)C1.
What is the InChIKey of N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is JCFRXUQPHABOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-14(2,9-19)12(21)13(22)17-11-7-15(3,4)18(10-20)16(5,6)8-11/h10-12,19,21H,7-9H2,1-6H3,(H,17,22).
What are the key properties of N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide?
N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 314.43 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 20656294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).