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

C15H19NO4 — CID 43092194

IUPAC1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
SMILESCc1cccc(OCC(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-11-5-4-6-12(9-11)20-10-14(17)16-8-3-2-7-13(16)15(18)19/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,18,19)
InChIKeyFOFTZSNKPBPDPD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.84
Rot. Bonds4

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

1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid (PubChem CID 43092194) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
PubChem CID43092194
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
SMILESCc1cccc(OCC(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-11-5-4-6-12(9-11)20-10-14(17)16-8-3-2-7-13(16)15(18)19/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,18,19)
InChIKeyFOFTZSNKPBPDPD-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
4-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 114421374
1-[5-(3-methylphenoxy)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119355758
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
(2R)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78921941
2-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 106741951
2-(3-methylphenoxy)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
CID 45143493
1-[2-(3-methylphenoxy)ethyl]piperidine-2-carboxylic acid
CID 43441222
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 79035220
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid (CID 43092194) is 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid is Cc1cccc(OCC(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid?
The InChIKey is FOFTZSNKPBPDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-5-4-6-12(9-11)20-10-14(17)16-8-3-2-7-13(16)15(18)19/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,18,19).
What are the key properties of 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid?
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43092194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).