2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid

C16H23NO5 — CID 125443053

IUPAC2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCOc1cc(CN2CCC[C@@H](OC)C2)ccc1OCC(=O)O
InChIInChI=1S/C16H23NO5/c1-20-13-4-3-7-17(10-13)9-12-5-6-14(15(8-12)21-2)22-11-16(18)19/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyUEYYPFYOXZLUSP-CYBMUJFWSA-N
MW309.36 g/mol
LogP1.77
Rot. Bonds7

About 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 125443053) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID125443053
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCOc1cc(CN2CCC[C@@H](OC)C2)ccc1OCC(=O)O
InChIInChI=1S/C16H23NO5/c1-20-13-4-3-7-17(10-13)9-12-5-6-14(15(8-12)21-2)22-11-16(18)19/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyUEYYPFYOXZLUSP-CYBMUJFWSA-N
XLogP1.77
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773
2-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]benzoic acid
CID 107880927
3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964619
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone;oxalic acid
CID 2933537
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371
1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
CID 162627048
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid (CID 125443053) is 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid is COc1cc(CN2CCC[C@@H](OC)C2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is UEYYPFYOXZLUSP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO5/c1-20-13-4-3-7-17(10-13)9-12-5-6-14(15(8-12)21-2)22-11-16(18)19/h5-6,8,13H,3-4,7,9-11H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 309.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 125443053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).