2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid

C17H23NO3 — CID 117467602

IUPAC2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(N2CCCCC2)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C17H23NO3/c1-21-13-5-6-15(18-9-3-2-4-10-18)14(11-13)17(7-8-17)12-16(19)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyKDUCDSKEUVBOMM-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid

2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid (PubChem CID 117467602) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
PubChem CID117467602
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
SMILESCOc1ccc(N2CCCCC2)c(C2(CC(=O)O)CC2)c1
InChIInChI=1S/C17H23NO3/c1-21-13-5-6-15(18-9-3-2-4-10-18)14(11-13)17(7-8-17)12-16(19)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20)
InChIKeyKDUCDSKEUVBOMM-UHFFFAOYSA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
2-[1-(2-formyl-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117340088
1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405565
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
1-(5-methyl-2-pyrrolidin-1-ylphenyl)cyclohexane-1-carboxylic acid
CID 117463982
2-[1-(2-chloro-5-methoxy-3-methylphenyl)cyclopropyl]acetic acid
CID 117389825
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
1-(azepan-1-yl)-6-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 79371967
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid (CID 117467602) is 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid is COc1ccc(N2CCCCC2)c(C2(CC(=O)O)CC2)c1.
What is the InChIKey of 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid?
The InChIKey is KDUCDSKEUVBOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-13-5-6-15(18-9-3-2-4-10-18)14(11-13)17(7-8-17)12-16(19)20/h5-6,11H,2-4,7-10,12H2,1H3,(H,19,20).
What are the key properties of 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid?
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid has a molecular weight of 289.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid is sourced from PubChem (CID 117467602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).