methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate

C11H19NO3 — CID 116685402

IUPACmethyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate
SMILESCOC(=O)C(=O)C(C)C1CC(C)CCN1
InChIInChI=1S/C11H19NO3/c1-7-4-5-12-9(6-7)8(2)10(13)11(14)15-3/h7-9,12H,4-6H2,1-3H3
InChIKeyGFTWALNKEDJKHP-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.75
Rot. Bonds3

About methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate

methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate (PubChem CID 116685402) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate.

Molecular Properties

Compound Namemethyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate
PubChem CID116685402
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate
SMILESCOC(=O)C(=O)C(C)C1CC(C)CCN1
InChIInChI=1S/C11H19NO3/c1-7-4-5-12-9(6-7)8(2)10(13)11(14)15-3/h7-9,12H,4-6H2,1-3H3
InChIKeyGFTWALNKEDJKHP-UHFFFAOYSA-N
XLogP0.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxypropyl)-4-methylpiperidine-2-carboxamide
CID 102695128
butan-2-yl 4-methylpiperidine-2-carboxylate
CID 114425052
2-amino-2-methyl-1-(4-methylpiperidin-2-yl)propan-1-ol
CID 130589366
N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
4-methyl-N-methylsulfonylpiperidine-2-carboxamide
CID 103287766
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291
2-propan-2-ylpiperidine-4-carboxylic acid
CID 82412056
4-methyl-N-(2-methylsulfinylpropyl)piperidine-2-carboxamide
CID 114424544
N-(2-ethoxypropyl)-4-methylpiperidine-2-carboxamide
CID 114424533
N-methoxy-N,4-dimethylpiperidine-2-carboxamide
CID 114423776
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424479

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate?
The IUPAC name of methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate (CID 116685402) is methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate.
What is the SMILES notation for methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate?
The canonical SMILES for methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate is COC(=O)C(=O)C(C)C1CC(C)CCN1.
What is the InChIKey of methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate?
The InChIKey is GFTWALNKEDJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-4-5-12-9(6-7)8(2)10(13)11(14)15-3/h7-9,12H,4-6H2,1-3H3.
What are the key properties of methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate?
methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate has a molecular weight of 213.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylpiperidin-2-yl)-2-oxobutanoate is sourced from PubChem (CID 116685402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).