methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate

C16H21NO5 — CID 108731344

IUPACmethyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)COc2ccccc2OC)C1
InChIInChI=1S/C16H21NO5/c1-20-13-7-3-4-8-14(13)22-11-15(18)17-9-5-6-12(10-17)16(19)21-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyJBLGAOBHBRGAII-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.49
Rot. Bonds5

About methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate

methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate (PubChem CID 108731344) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
PubChem CID108731344
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(C(=O)COc2ccccc2OC)C1
InChIInChI=1S/C16H21NO5/c1-20-13-7-3-4-8-14(13)22-11-15(18)17-9-5-6-12(10-17)16(19)21-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3
InChIKeyJBLGAOBHBRGAII-UHFFFAOYSA-N
XLogP1.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
methyl 1-[2-(4-bromophenoxy)acetyl]piperidine-3-carboxylate
CID 78918831
ethyl (3R)-1-[2-(2-methoxy-4-methylphenoxy)acetyl]piperidine-3-carboxylate
CID 94014623
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate (CID 108731344) is methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate is COC(=O)C1CCCN(C(=O)COc2ccccc2OC)C1.
What is the InChIKey of methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is JBLGAOBHBRGAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-20-13-7-3-4-8-14(13)22-11-15(18)17-9-5-6-12(10-17)16(19)21-2/h3-4,7-8,12H,5-6,9-11H2,1-2H3.
What are the key properties of methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate?
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 108731344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).