1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid

C18H22FNO4 — CID 56894387

IUPAC1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
SMILESO=C(CCC1CC1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C18H22FNO4/c19-14-3-1-2-4-15(14)24-18(17(22)23)9-11-20(12-10-18)16(21)8-7-13-5-6-13/h1-4,13H,5-12H2,(H,22,23)
InChIKeyRMDAMYTVIRTFHI-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.84
Rot. Bonds6

About 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid

1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid (PubChem CID 56894387) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
PubChem CID56894387
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
SMILESO=C(CCC1CC1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C18H22FNO4/c19-14-3-1-2-4-15(14)24-18(17(22)23)9-11-20(12-10-18)16(21)8-7-13-5-6-13/h1-4,13H,5-12H2,(H,22,23)
InChIKeyRMDAMYTVIRTFHI-UHFFFAOYSA-N
XLogP2.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56893029
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56883286
1-(3-cyclohexylpropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45338210
[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 166228602
4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56882724
3-cyclohexyl-1-(4-hydroxy-4-phenylpiperidin-1-yl)propan-1-one
CID 110185891
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
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
3-fluoro-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258328
4-(4-fluoro-2-methylphenoxy)-1-(2-methoxyacetyl)piperidine-4-carboxylic acid
CID 56882480

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid (CID 56894387) is 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid is O=C(CCC1CC1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1.
What is the InChIKey of 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
The InChIKey is RMDAMYTVIRTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4/c19-14-3-1-2-4-15(14)24-18(17(22)23)9-11-20(12-10-18)16(21)8-7-13-5-6-13/h1-4,13H,5-12H2,(H,22,23).
What are the key properties of 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid?
1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylpropanoyl)-4-(2-fluorophenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 56894387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).