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

C17H25NO4 — CID 117492355

IUPAC4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
SMILESCOc1cc(CCCC(=O)O)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H25NO4/c1-18-10-8-14(9-11-18)22-15-7-6-13(12-16(15)21-2)4-3-5-17(19)20/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,20)
InChIKeyGCRIBUDQQZKBNX-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.58
Rot. Bonds7

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

4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid (PubChem CID 117492355) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
PubChem CID117492355
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
SMILESCOc1cc(CCCC(=O)O)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H25NO4/c1-18-10-8-14(9-11-18)22-15-7-6-13(12-16(15)21-2)4-3-5-17(19)20/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,20)
InChIKeyGCRIBUDQQZKBNX-UHFFFAOYSA-N
XLogP2.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024
O-[[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420170
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
CID 117475980
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-methylpropanoic acid
CID 117473404

Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid?
The IUPAC name of 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid (CID 117492355) is 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid.
What is the SMILES notation for 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid?
The canonical SMILES for 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid is COc1cc(CCCC(=O)O)ccc1OC1CCN(C)CC1.
What is the InChIKey of 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid?
The InChIKey is GCRIBUDQQZKBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-18-10-8-14(9-11-18)22-15-7-6-13(12-16(15)21-2)4-3-5-17(19)20/h6-7,12,14H,3-5,8-11H2,1-2H3,(H,19,20).
What are the key properties of 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid?
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid is sourced from PubChem (CID 117492355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).