1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid

C17H23NO4 — CID 54793718

IUPAC1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C)c1OC(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23NO4/c1-11-5-4-6-12(2)15(11)22-13(3)16(19)18-9-7-14(8-10-18)17(20)21/h4-6,13-14H,7-10H2,1-3H3,(H,20,21)
InChIKeySOXSFMLSAXZPFD-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid

1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid (PubChem CID 54793718) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
PubChem CID54793718
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C)c1OC(C)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H23NO4/c1-11-5-4-6-12(2)15(11)22-13(3)16(19)18-9-7-14(8-10-18)17(20)21/h4-6,13-14H,7-10H2,1-3H3,(H,20,21)
InChIKeySOXSFMLSAXZPFD-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

Analyze 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793798
1-[2-(4-ethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 54793784
1-[2-[2-(trifluoromethyl)phenoxy]propanoyl]piperidine-4-carboxylic acid
CID 167933952
2-(2,3-dimethylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 42904169
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[(2S)-2-(2-chloro-4-fluorophenoxy)propanoyl]piperidine-4-carboxylic acid
CID 124695068
1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43908541
1-[2-(4-methoxyphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032662
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]piperidine-4-carboxylic acid
CID 146306482
1-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-2-(2-methyl-6-phenylphenoxy)propan-1-one
CID 140911745

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid (CID 54793718) is 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid is Cc1cccc(C)c1OC(C)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is SOXSFMLSAXZPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-5-4-6-12(2)15(11)22-13(3)16(19)18-9-7-14(8-10-18)17(20)21/h4-6,13-14H,7-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid?
1-[2-(2,6-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-(2,6-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 54793718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).