acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine

C49H89F3N8O17 — CID 159123121

IUPACacetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine
SMILESCC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCC(=O)CC1.CON.CON(C(C)=O)C1CCN(C(=O)C(F)(F)F)CC1.CON(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CONC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4.C11H22N2O3.C10H15F3N2O3.C10H17NO3.C4H6O3.CH5NO/c1-10(16)15(18-5)11-6-8-14(9-7-11)12(17)19-13(2,3)4;1-11(2,3)16-10(14)13-7-5-9(6-8-13)12-15-4;1-7(16)15(18-2)8-3-5-14(6-4-8)9(17)10(11,12)13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3(5)7-4(2)6;1-3-2/h11H,6-9H2,1-5H3;9,12H,5-8H2,1-4H3;8H,3-6H2,1-2H3;4-7H2,1-3H3;1-2H3;2H2,1H3
InChIKeyKFYGFIWQEUOKOJ-UHFFFAOYSA-N
MW1119.28 g/mol
LogP5.47
Rot. Bonds6

About acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine

acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine (PubChem CID 159123121) has the molecular formula C49H89F3N8O17 and a molecular weight of 1119.28 g/mol. Its IUPAC name is acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine.

Molecular Properties

Compound Nameacetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine
PubChem CID159123121
Molecular FormulaC49H89F3N8O17
Molecular Weight1119.28 g/mol
Exact Mass1118.63
IUPAC Nameacetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine
SMILESCC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCC(=O)CC1.CON.CON(C(C)=O)C1CCN(C(=O)C(F)(F)F)CC1.CON(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CONC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4.C11H22N2O3.C10H15F3N2O3.C10H17NO3.C4H6O3.CH5NO/c1-10(16)15(18-5)11-6-8-14(9-7-11)12(17)19-13(2,3)4;1-11(2,3)16-10(14)13-7-5-9(6-8-13)12-15-4;1-7(16)15(18-2)8-3-5-14(6-4-8)9(17)10(11,12)13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3(5)7-4(2)6;1-3-2/h11H,6-9H2,1-5H3;9,12H,5-8H2,1-4H3;8H,3-6H2,1-2H3;4-7H2,1-3H3;1-2H3;2H2,1H3
InChIKeyKFYGFIWQEUOKOJ-UHFFFAOYSA-N
XLogP5.47
TPSA284.96 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001119.28
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine with MolForge

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Related Compounds

acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 157056579
acetyl acetate;tert-butyl 4-[acetyl(2,2-dimethylpropyl)amino]piperidine-1-carboxylate;tert-butyl 4-(2,2-dimethylpropylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-cyclohexyl-N-(2,2-dimethylpropyl)acetamide;N,N-diethylethanamine;2,2-dimethylpropan-1-amine;2,2,2-trifluoroacetaldehyde
CID 159897368
acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;ethanamine;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 161016645

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine?
The IUPAC name of acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine (CID 159123121) is acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine.
What is the SMILES notation for acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine?
The canonical SMILES for acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine is CC(=O)OC(C)=O.CC(C)(C)OC(=O)N1CCC(=O)CC1.CON.CON(C(C)=O)C1CCN(C(=O)C(F)(F)F)CC1.CON(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CONC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine?
The InChIKey is KFYGFIWQEUOKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.C11H22N2O3.C10H15F3N2O3.C10H17NO3.C4H6O3.CH5NO/c1-10(16)15(18-5)11-6-8-14(9-7-11)12(17)19-13(2,3)4;1-11(2,3)16-10(14)13-7-5-9(6-8-13)12-15-4;1-7(16)15(18-2)8-3-5-14(6-4-8)9(17)10(11,12)13;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-3(5)7-4(2)6;1-3-2/h11H,6-9H2,1-5H3;9,12H,5-8H2,1-4H3;8H,3-6H2,1-2H3;4-7H2,1-3H3;1-2H3;2H2,1H3.
What are the key properties of acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine?
acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine has a molecular weight of 1119.28 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;tert-butyl 4-[acetyl(methoxy)amino]piperidine-1-carboxylate;tert-butyl 4-(methoxyamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-methoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide;O-methylhydroxylamine is sourced from PubChem (CID 159123121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).