4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid

C16H20FNO5 — CID 56882480

IUPAC4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid
SMILESCOCC(=O)N1CCC(Oc2ccc(F)cc2C)(C(=O)O)CC1
InChIInChI=1S/C16H20FNO5/c1-11-9-12(17)3-4-13(11)23-16(15(20)21)5-7-18(8-6-16)14(19)10-22-2/h3-4,9H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyBRBUNTCLKIHUJU-UHFFFAOYSA-N
MW325.34 g/mol
LogP1.61
Rot. Bonds5

About 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid

4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid (PubChem CID 56882480) has the molecular formula C16H20FNO5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid
PubChem CID56882480
Molecular FormulaC16H20FNO5
Molecular Weight325.34 g/mol
Exact Mass325.13
IUPAC Name4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid
SMILESCOCC(=O)N1CCC(Oc2ccc(F)cc2C)(C(=O)O)CC1
InChIInChI=1S/C16H20FNO5/c1-11-9-12(17)3-4-13(11)23-16(15(20)21)5-7-18(8-6-16)14(19)10-22-2/h3-4,9H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyBRBUNTCLKIHUJU-UHFFFAOYSA-N
XLogP1.61
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)acetyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56905537
1-[3-(furan-2-yl)propanoyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 56886349
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56894387
9-[4-(4-fluorophenyl)-2-methoxy-6-methylphenyl]-3-(2-methoxyacetyl)-3-azaspiro[5.5]undecane-8,10-dione
CID 139492716
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330
4-(2-methylphenoxy)-1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 56907332
2-(2,4-difluorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727182
4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid
CID 56901005
(3aS,6aS)-2-[(4-fluoro-2-methylphenyl)methyl]-5-(2-methoxyacetyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72929990
4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
CID 56900262
1-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-2-methoxyethanone
CID 84593093

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid (CID 56882480) is 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid is COCC(=O)N1CCC(Oc2ccc(F)cc2C)(C(=O)O)CC1.
What is the InChIKey of 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
The InChIKey is BRBUNTCLKIHUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO5/c1-11-9-12(17)3-4-13(11)23-16(15(20)21)5-7-18(8-6-16)14(19)10-22-2/h3-4,9H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid?
4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid has a molecular weight of 325.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56882480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).