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

C15H19NO4 — CID 43239597

IUPAC1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1OCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-11-5-2-3-7-13(11)20-10-14(17)16-8-4-6-12(9-16)15(18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,18,19)
InChIKeyIGVJPVGBOGJJIL-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

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

1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 43239597) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID43239597
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1OCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-11-5-2-3-7-13(11)20-10-14(17)16-8-4-6-12(9-16)15(18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,18,19)
InChIKeyIGVJPVGBOGJJIL-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 9335249
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930
1-[3-(4-fluorophenyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 90608788
(3S)-1-[2-(2-chloro-5-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 78923375
(3R)-1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 51518691
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid (CID 43239597) is 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid is Cc1ccccc1OCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is IGVJPVGBOGJJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-5-2-3-7-13(11)20-10-14(17)16-8-4-6-12(9-16)15(18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid?
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43239597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).