1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid

C17H23NO5 — CID 122083922

IUPAC1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OCCC(=O)N2CC(C(=O)O)CCC2C)cc1
InChIInChI=1S/C17H23NO5/c1-12-3-4-13(17(20)21)11-18(12)16(19)9-10-23-15-7-5-14(22-2)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21)
InChIKeyPWLNOHHFBJCCQB-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.18
Rot. Bonds6

About 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid

1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083922) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122083922
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OCCC(=O)N2CC(C(=O)O)CCC2C)cc1
InChIInChI=1S/C17H23NO5/c1-12-3-4-13(17(20)21)11-18(12)16(19)9-10-23-15-7-5-14(22-2)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21)
InChIKeyPWLNOHHFBJCCQB-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid (CID 122083922) is 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid is COc1ccc(OCCC(=O)N2CC(C(=O)O)CCC2C)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is PWLNOHHFBJCCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12-3-4-13(17(20)21)11-18(12)16(19)9-10-23-15-7-5-14(22-2)6-8-15/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid?
1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenoxy)propanoyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).