1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide

C18H33N3O3 — CID 137397596

IUPAC1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)C(C)(C)N1O
InChIInChI=1S/C18H33N3O3/c1-15(2)9-12(10-16(3,4)20(15)23)19-14(22)13-11-17(5,6)21(24)18(13,7)8/h11-12,23-24H,9-10H2,1-8H3,(H,19,22)
InChIKeyQAPMNTFNEAJQNH-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.70
Rot. Bonds2

About 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide

1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (PubChem CID 137397596) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
PubChem CID137397596
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide
SMILESCC1(C)C=C(C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)C(C)(C)N1O
InChIInChI=1S/C18H33N3O3/c1-15(2)9-12(10-16(3,4)20(15)23)19-14(22)13-11-17(5,6)21(24)18(13,7)8/h11-12,23-24H,9-10H2,1-8H3,(H,19,22)
InChIKeyQAPMNTFNEAJQNH-UHFFFAOYSA-N
XLogP2.70
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide (CID 137397596) is 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is CC1(C)C=C(C(=O)NC2CC(C)(C)N(O)C(C)(C)C2)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is QAPMNTFNEAJQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-15(2)9-12(10-16(3,4)20(15)23)19-14(22)13-11-17(5,6)21(24)18(13,7)8/h11-12,23-24H,9-10H2,1-8H3,(H,19,22).
What are the key properties of 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide?
1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2,2,5,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 137397596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).