2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide

C19H28N2O4 — CID 59577125

IUPAC2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide
SMILESCONC(=O)C(=O)N1CCC(COc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)15-7-5-6-8-16(15)25-13-14-9-11-21(12-10-14)18(23)17(22)20-24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKeyRQBSXAKIPAXSKB-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.28
Rot. Bonds4

About 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide

2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide (PubChem CID 59577125) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide
PubChem CID59577125
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide
SMILESCONC(=O)C(=O)N1CCC(COc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)15-7-5-6-8-16(15)25-13-14-9-11-21(12-10-14)18(23)17(22)20-24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22)
InChIKeyRQBSXAKIPAXSKB-UHFFFAOYSA-N
XLogP2.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide?
The IUPAC name of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide (CID 59577125) is 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide.
What is the SMILES notation for 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide?
The canonical SMILES for 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide is CONC(=O)C(=O)N1CCC(COc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide?
The InChIKey is RQBSXAKIPAXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)15-7-5-6-8-16(15)25-13-14-9-11-21(12-10-14)18(23)17(22)20-24-4/h5-8,14H,9-13H2,1-4H3,(H,20,22).
What are the key properties of 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide?
2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide has a molecular weight of 348.44 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-tert-butylphenoxy)methyl]piperidin-1-yl]-N-methoxy-2-oxoacetamide is sourced from PubChem (CID 59577125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).