1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid

C16H21NO5 — CID 45429307

IUPAC1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1OCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H21NO5/c1-21-13-6-2-3-7-14(13)22-10-8-15(18)17-9-4-5-12(11-17)16(19)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyWOMFYXLQOFKQIM-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.79
Rot. Bonds6

About 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid

1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 45429307) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID45429307
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1OCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C16H21NO5/c1-21-13-6-2-3-7-14(13)22-10-8-15(18)17-9-4-5-12(11-17)16(19)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,20)
InChIKeyWOMFYXLQOFKQIM-UHFFFAOYSA-N
XLogP1.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
(3S)-1-[3-(2,3-dimethylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 129368712
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031
(3S)-1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 81120736
1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 119167136
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
(3R)-1-[3-(4-chlorophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 129382420

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid (CID 45429307) is 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid is COc1ccccc1OCCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is WOMFYXLQOFKQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-21-13-6-2-3-7-14(13)22-10-8-15(18)17-9-4-5-12(11-17)16(19)20/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid?
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 45429307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).