4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid

C17H16FNO5 — CID 56883286

IUPAC4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccoc1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C17H16FNO5/c18-13-3-1-2-4-14(13)24-17(16(21)22)6-8-19(9-7-17)15(20)12-5-10-23-11-12/h1-5,10-11H,6-9H2,(H,21,22)
InChIKeyKCFLCYVKGMFRMJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.56
Rot. Bonds4

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

4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56883286) has the molecular formula C17H16FNO5 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID56883286
Molecular FormulaC17H16FNO5
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1ccoc1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C17H16FNO5/c18-13-3-1-2-4-14(13)24-17(16(21)22)6-8-19(9-7-17)15(20)12-5-10-23-11-12/h1-5,10-11H,6-9H2,(H,21,22)
InChIKeyKCFLCYVKGMFRMJ-UHFFFAOYSA-N
XLogP2.56
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 70758455
1-[(2R)-2-amino-3-methylbutanoyl]-4-(2-fluorophenoxy)piperidine-4-carboxylic acid
CID 56893029
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
4-(2-fluorophenoxy)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56882724
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483
furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97370696
4-(benzimidazol-1-yl)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 56901275
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(furan-3-yl)methanone
CID 56819357
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 32531189
[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 166228602

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid (CID 56883286) is 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid is O=C(c1ccoc1)N1CCC(Oc2ccccc2F)(C(=O)O)CC1.
What is the InChIKey of 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is KCFLCYVKGMFRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5/c18-13-3-1-2-4-14(13)24-17(16(21)22)6-8-19(9-7-17)15(20)12-5-10-23-11-12/h1-5,10-11H,6-9H2,(H,21,22).
What are the key properties of 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid?
4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 333.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56883286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).