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

C17H23NO4 — CID 117490723

IUPAC1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H23NO4/c1-18-9-5-13(6-10-18)22-14-4-3-12(11-15(14)21-2)17(7-8-17)16(19)20/h3-4,11,13H,5-10H2,1-2H3,(H,19,20)
InChIKeyIKNRLEMYYKEGNX-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.28
Rot. Bonds5

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

1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid (PubChem CID 117490723) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
PubChem CID117490723
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H23NO4/c1-18-9-5-13(6-10-18)22-14-4-3-12(11-15(14)21-2)17(7-8-17)16(19)20/h3-4,11,13H,5-10H2,1-2H3,(H,19,20)
InChIKeyIKNRLEMYYKEGNX-UHFFFAOYSA-N
XLogP2.28
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493404
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117450144
1-[1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117489876
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
CID 117488545
2-hydroxy-2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]acetic acid
CID 117475980
1-(4-methoxy-3-piperidin-3-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 117470566
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493405
4-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]butanoic acid
CID 117492355
1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxylic acid
CID 16770133

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid (CID 117490723) is 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid is COc1cc(C2(C(=O)O)CC2)ccc1OC1CCN(C)CC1.
What is the InChIKey of 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
The InChIKey is IKNRLEMYYKEGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-18-9-5-13(6-10-18)22-14-4-3-12(11-15(14)21-2)17(7-8-17)16(19)20/h3-4,11,13H,5-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid?
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117490723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).