methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate

C21H51NO4 — CID 157470228

IUPACmethane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate
SMILESC.C.C.C.C.C.COCN1C(C)(C)CC(OC(=O)CC(C)=O)CC1(C)C
InChIInChI=1S/C15H27NO4.6CH4/c1-11(17)7-13(18)20-12-8-14(2,3)16(10-19-6)15(4,5)9-12;;;;;;/h12H,7-10H2,1-6H3;6*1H4
InChIKeyBUYIBICEPOFISH-UHFFFAOYSA-N
MW381.64 g/mol
LogP5.95
Rot. Bonds5

About methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate

methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate (PubChem CID 157470228) has the molecular formula C21H51NO4 and a molecular weight of 381.64 g/mol. Its IUPAC name is methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate.

Molecular Properties

Compound Namemethane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate
PubChem CID157470228
Molecular FormulaC21H51NO4
Molecular Weight381.64 g/mol
Exact Mass381.38
IUPAC Namemethane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate
SMILESC.C.C.C.C.C.COCN1C(C)(C)CC(OC(=O)CC(C)=O)CC1(C)C
InChIInChI=1S/C15H27NO4.6CH4/c1-11(17)7-13(18)20-12-8-14(2,3)16(10-19-6)15(4,5)9-12;;;;;;/h12H,7-10H2,1-6H3;6*1H4
InChIKeyBUYIBICEPOFISH-UHFFFAOYSA-N
XLogP5.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.64
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
bis(2,2,6,6-tetramethyl-1-prop-2-enoylpiperidin-4-yl) propanedioate
CID 141308414
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
CID 67533775
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioate
CID 71191761
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117

Frequently Asked Questions

What is the IUPAC name of methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate?
The IUPAC name of methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate (CID 157470228) is methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate.
What is the SMILES notation for methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate?
The canonical SMILES for methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate is C.C.C.C.C.C.COCN1C(C)(C)CC(OC(=O)CC(C)=O)CC1(C)C.
What is the InChIKey of methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate?
The InChIKey is BUYIBICEPOFISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4.6CH4/c1-11(17)7-13(18)20-12-8-14(2,3)16(10-19-6)15(4,5)9-12;;;;;;/h12H,7-10H2,1-6H3;6*1H4.
What are the key properties of methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate?
methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate has a molecular weight of 381.64 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[1-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 3-oxobutanoate is sourced from PubChem (CID 157470228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).