methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate

C12H22N2O4 — CID 103196579

IUPACmethyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
SMILESCNC(=O)C1CCCN(CC(C)(O)C(=O)OC)C1
InChIInChI=1S/C12H22N2O4/c1-12(17,11(16)18-3)8-14-6-4-5-9(7-14)10(15)13-2/h9,17H,4-8H2,1-3H3,(H,13,15)
InChIKeyBFQMYOYLGTYALM-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.63
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate

methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate (PubChem CID 103196579) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
PubChem CID103196579
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
SMILESCNC(=O)C1CCCN(CC(C)(O)C(=O)OC)C1
InChIInChI=1S/C12H22N2O4/c1-12(17,11(16)18-3)8-14-6-4-5-9(7-14)10(15)13-2/h9,17H,4-8H2,1-3H3,(H,13,15)
InChIKeyBFQMYOYLGTYALM-UHFFFAOYSA-N
XLogP-0.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 100620951
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
methyl 2-hydroxy-3-[3-(methoxycarbonylamino)pyrrolidin-1-yl]-2-methylpropanoate
CID 113402427
1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide
CID 103197800
N-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
CID 104870234
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
methyl 3-(3,4-dimethoxypyrrolidin-1-yl)-2-hydroxy-2-methylpropanoate
CID 103535263
1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
CID 103198001
1-[2-(2-aminoethoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 103482277
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate (CID 103196579) is methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate is CNC(=O)C1CCCN(CC(C)(O)C(=O)OC)C1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate?
The InChIKey is BFQMYOYLGTYALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(17,11(16)18-3)8-14-6-4-5-9(7-14)10(15)13-2/h9,17H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate?
methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate has a molecular weight of 258.32 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 103196579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).