4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid

C16H23NO4 — CID 106588718

IUPAC4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOCC1CCCN(Cc2cc(C(=O)O)ccc2OC)C1
InChIInChI=1S/C16H23NO4/c1-20-11-12-4-3-7-17(9-12)10-14-8-13(16(18)19)5-6-15(14)21-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,18,19)
InChIKeyPZFWNHXGIZVBOG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.25
Rot. Bonds6

About 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid

4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid (PubChem CID 106588718) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
PubChem CID106588718
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
SMILESCOCC1CCCN(Cc2cc(C(=O)O)ccc2OC)C1
InChIInChI=1S/C16H23NO4/c1-20-11-12-4-3-7-17(9-12)10-14-8-13(16(18)19)5-6-15(14)21-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,18,19)
InChIKeyPZFWNHXGIZVBOG-UHFFFAOYSA-N
XLogP2.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanone
CID 64596974
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
1-[3-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 63899709
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106589648

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid (CID 106588718) is 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid is COCC1CCCN(Cc2cc(C(=O)O)ccc2OC)C1.
What is the InChIKey of 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
The InChIKey is PZFWNHXGIZVBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-11-12-4-3-7-17(9-12)10-14-8-13(16(18)19)5-6-15(14)21-2/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid?
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid is sourced from PubChem (CID 106588718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).