1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid

C17H23NO4 — CID 54793798

IUPAC1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C)c(OC(C)C(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H23NO4/c1-11-4-5-12(2)15(10-11)22-13(3)16(19)18-8-6-14(7-9-18)17(20)21/h4-5,10,13-14H,6-9H2,1-3H3,(H,20,21)
InChIKeyGKKZLRXPVVPTQE-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid

1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid (PubChem CID 54793798) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
PubChem CID54793798
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C)c(OC(C)C(=O)N2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H23NO4/c1-11-4-5-12(2)15(10-11)22-13(3)16(19)18-8-6-14(7-9-18)17(20)21/h4-5,10,13-14H,6-9H2,1-3H3,(H,20,21)
InChIKeyGKKZLRXPVVPTQE-UHFFFAOYSA-N
XLogP2.39
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[(2S)-2-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125154249
1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793718
1-(4-benzoylpiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 55823679
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
3-[4-[(2R)-2-(2,5-dimethylphenoxy)propanoyl]piperazin-1-yl]propanoic acid
CID 125151357
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 119376206
(2S)-1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 39416084
methyl 1-[2-(2,3,5-trimethylphenoxy)propanoyl]piperidine-4-carboxylate
CID 46769392
1-[(2S)-2-(2,5-dimethylphenoxy)butanoyl]piperidine-4-carboxamide
CID 92682966
1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxylic acid
CID 167933952
1-[4-(dimethylamino)piperidin-1-yl]-2-(2-methyl-5-propan-2-ylphenoxy)propan-1-one
CID 60559753

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid (CID 54793798) is 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid is Cc1ccc(C)c(OC(C)C(=O)N2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is GKKZLRXPVVPTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-4-5-12(2)15(10-11)22-13(3)16(19)18-8-6-14(7-9-18)17(20)21/h4-5,10,13-14H,6-9H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54793798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).