2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid

C14H17FN2O4 — CID 63902966

IUPAC2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
SMILESNC(=O)c1cc(F)ccc1N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H17FN2O4/c15-9-1-2-12(11(7-9)14(16)20)17-5-3-10(4-6-17)21-8-13(18)19/h1-2,7,10H,3-6,8H2,(H2,16,20)(H,18,19)
InChIKeyVCAWSSNKULCWQM-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.99
Rot. Bonds5

About 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid

2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63902966) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
PubChem CID63902966
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
SMILESNC(=O)c1cc(F)ccc1N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C14H17FN2O4/c15-9-1-2-12(11(7-9)14(16)20)17-5-3-10(4-6-17)21-8-13(18)19/h1-2,7,10H,3-6,8H2,(H2,16,20)(H,18,19)
InChIKeyVCAWSSNKULCWQM-UHFFFAOYSA-N
XLogP0.99
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-[1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]oxyacetic acid
CID 58466093
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
2-[1-(3-bromo-2-carbamoylphenyl)piperidin-4-yl]oxyacetic acid
CID 114880178
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
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5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
2-[4-(2-carbamoyl-4-fluorophenyl)morpholin-2-yl]acetic acid
CID 66433243
5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63673694
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65066035
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65065329
2-[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]oxyacetic acid
CID 63903538

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid (CID 63902966) is 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid is NC(=O)c1cc(F)ccc1N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is VCAWSSNKULCWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c15-9-1-2-12(11(7-9)14(16)20)17-5-3-10(4-6-17)21-8-13(18)19/h1-2,7,10H,3-6,8H2,(H2,16,20)(H,18,19).
What are the key properties of 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 296.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63902966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).