(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid

C15H19NO5 — CID 42257555

IUPAC(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1OCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-20-12-6-2-3-7-13(12)21-10-14(17)16-8-4-5-11(9-16)15(18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyOKOIIDDIZHNYFW-NSHDSACASA-N
MW293.32 g/mol
LogP1.40
Rot. Bonds5

About (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 42257555) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID42257555
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1OCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-20-12-6-2-3-7-13(12)21-10-14(17)16-8-4-5-11(9-16)15(18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyOKOIIDDIZHNYFW-NSHDSACASA-N
XLogP1.40
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-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

methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
1-(3-aminopiperidin-1-yl)-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119377091
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
ethane;2-(2-methoxyphenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 142232731
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid (CID 42257555) is (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid is COc1ccccc1OCC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is OKOIIDDIZHNYFW-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-6-2-3-7-13(12)21-10-14(17)16-8-4-5-11(9-16)15(18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 42257555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).