methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate

C15H20N2O4 — CID 61106803

IUPACmethyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)COc1ccccc1N
InChIInChI=1S/C15H20N2O4/c1-20-15(19)12-7-4-5-9-17(12)14(18)10-21-13-8-3-2-6-11(13)16/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3
InChIKeyVZXZQUVXJHLKRW-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.20
Rot. Bonds4

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

methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate (PubChem CID 61106803) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
PubChem CID61106803
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)COc1ccccc1N
InChIInChI=1S/C15H20N2O4/c1-20-15(19)12-7-4-5-9-17(12)14(18)10-21-13-8-3-2-6-11(13)16/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3
InChIKeyVZXZQUVXJHLKRW-UHFFFAOYSA-N
XLogP1.20
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl 1-[2-(2-chloro-4-fluorophenoxy)acetyl]pyrrolidine-2-carboxylate
CID 43410117
methyl 1-[2-(2-chloro-4-phenylphenoxy)acetyl]pyrrolidine-2-carboxylate
CID 112809208
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
CID 43575397
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate (CID 61106803) is methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)COc1ccccc1N.
What is the InChIKey of methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate?
The InChIKey is VZXZQUVXJHLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)12-7-4-5-9-17(12)14(18)10-21-13-8-3-2-6-11(13)16/h2-3,6,8,12H,4-5,7,9-10,16H2,1H3.
What are the key properties of methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate?
methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 61106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).