3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid

C16H23NO4 — CID 117473467

IUPAC3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1OC1CCCN(C)C1
InChIInChI=1S/C16H23NO4/c1-17-9-3-4-13(11-17)21-15-10-12(6-8-16(18)19)5-7-14(15)20-2/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3,(H,18,19)
InChIKeyUPFPAKGNABIYQB-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.19
Rot. Bonds6

About 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid

3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid (PubChem CID 117473467) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
PubChem CID117473467
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
SMILESCOc1ccc(CCC(=O)O)cc1OC1CCCN(C)C1
InChIInChI=1S/C16H23NO4/c1-17-9-3-4-13(11-17)21-15-10-12(6-8-16(18)19)5-7-14(15)20-2/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3,(H,18,19)
InChIKeyUPFPAKGNABIYQB-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444677
3-amino-3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493374
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
3-amino-3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493373

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid?
The IUPAC name of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid (CID 117473467) is 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid.
What is the SMILES notation for 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid?
The canonical SMILES for 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid is COc1ccc(CCC(=O)O)cc1OC1CCCN(C)C1.
What is the InChIKey of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid?
The InChIKey is UPFPAKGNABIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-17-9-3-4-13(11-17)21-15-10-12(6-8-16(18)19)5-7-14(15)20-2/h5,7,10,13H,3-4,6,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid?
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid is sourced from PubChem (CID 117473467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).