1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

C15H19FN2O4 — CID 122086770

IUPAC1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(OCCF)c2)CC1
InChIInChI=1S/C15H19FN2O4/c16-6-9-22-13-3-1-2-12(10-13)17-15(21)18-7-4-11(5-8-18)14(19)20/h1-3,10-11H,4-9H2,(H,17,21)(H,19,20)
InChIKeyVVBAYNZTVJOWJF-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.36
Rot. Bonds5

About 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122086770) has the molecular formula C15H19FN2O4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122086770
Molecular FormulaC15H19FN2O4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(OCCF)c2)CC1
InChIInChI=1S/C15H19FN2O4/c16-6-9-22-13-3-1-2-12(10-13)17-15(21)18-7-4-11(5-8-18)14(19)20/h1-3,10-11H,4-9H2,(H,17,21)(H,19,20)
InChIKeyVVBAYNZTVJOWJF-UHFFFAOYSA-N
XLogP2.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
(3aR,6aR)-N-[3-(2-fluoroethoxy)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97225832
1-[[3-(2-methylpropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122076727
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
(3S)-N-[3-(2-fluoroethoxy)phenyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124570047
1-[(3-prop-2-ynoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122079740
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
(3R)-N-[3-(2-fluoroethoxy)phenyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124569986
N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
CID 130015965

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122086770) is 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cccc(OCCF)c2)CC1.
What is the InChIKey of 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is VVBAYNZTVJOWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4/c16-6-9-22-13-3-1-2-12(10-13)17-15(21)18-7-4-11(5-8-18)14(19)20/h1-3,10-11H,4-9H2,(H,17,21)(H,19,20).
What are the key properties of 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122086770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).