1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide

C13H26N2O4 — CID 123219754

IUPAC1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCN(C(O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10,12,17H,6-9H2,1-5H3
InChIKeyBUCOZOOAXKAERY-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.81
Rot. Bonds4

About 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 123219754) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID123219754
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCN(C(O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10,12,17H,6-9H2,1-5H3
InChIKeyBUCOZOOAXKAERY-UHFFFAOYSA-N
XLogP0.81
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
CID 123191389
CID 144782991
CID 144782991
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194
benzene;N-methoxy-N-methylcyclopropanecarboxamide
CID 170770192
tert-butyl-[4-[methoxy(methyl)carbamoyl]cyclohexyl]carbamic acid
CID 87114483
ethane;1-methanidyl-N-methoxy-N-methylpyrrolidine-3-carboxamide;yttrium
CID 158828530
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;methoxyethane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 160695489
1-[hydroxy(2,5,5-trimethylhexan-2-yloxy)methyl]piperidine-4-carboxylic acid
CID 123659569
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
cyclopropanecarbonyl chloride;N-methoxymethanamine;N-methoxy-N-methylcyclopropanecarboxamide
CID 161097288

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide (CID 123219754) is 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide is CON(C)C(=O)C1CCN(C(O)OC(C)(C)C)CC1.
What is the InChIKey of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is BUCOZOOAXKAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10,12,17H,6-9H2,1-5H3.
What are the key properties of 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide?
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-N-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 123219754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).