methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate

C12H21NO4 — CID 62026204

IUPACmethyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCCCC1CC(=O)OC
InChIInChI=1S/C12H21NO4/c1-16-11(14)6-8-13-7-4-3-5-10(13)9-12(15)17-2/h10H,3-9H2,1-2H3
InChIKeyGAHUYNRDBLWUKC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds5

About methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate

methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate (PubChem CID 62026204) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate
PubChem CID62026204
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CCCCC1CC(=O)OC
InChIInChI=1S/C12H21NO4/c1-16-11(14)6-8-13-7-4-3-5-10(13)9-12(15)17-2/h10H,3-9H2,1-2H3
InChIKeyGAHUYNRDBLWUKC-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-Methylpiperidin-2-yl)acetic acid
CID 3159683
Methyl 11-(piperidin-1-yl)undecanoate
CID 3108052
Methyl N-boc-2-piperidineacetate
CID 11572435
3-(2-Methylpiperidin-1-yl)propyl tetradecanoate
CID 115713
3-(2-Methylpiperidin-1-yl)propyl tetradecanoate--hydrogen chloride (1/1)
CID 3051005
Methyl 2-(piperidin-2-yl)acetate hydrochloride
CID 13778732
2-(1-Methylpiperidin-2-yl)acetic acid hydrochloride
CID 45156844
Methyl piperidin-2-ylacetate
CID 5214606
Ethyl piperidin-2-ylacetate
CID 436981
dimethyl (2S,6R)-1-methylpiperidine-2,6-dicarboxylate
CID 44312843
(S)-tert-Butyl 2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 10264438
methyl 2-[(2S)-piperidin-2-yl]acetate hydrochloride
CID 45074516

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate (CID 62026204) is methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate is COC(=O)CCN1CCCCC1CC(=O)OC.
What is the InChIKey of methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate?
The InChIKey is GAHUYNRDBLWUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-16-11(14)6-8-13-7-4-3-5-10(13)9-12(15)17-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate?
methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 62026204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).