1-carbonofluoridoylpiperidine-4-carboxylic acid

C7H10FNO3 — CID 143488886

IUPAC1-carbonofluoridoylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)F)CC1
InChIInChI=1S/C7H10FNO3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyAELSMNJDQIPPKF-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.87
Rot. Bonds1

About 1-carbonofluoridoylpiperidine-4-carboxylic acid

1-carbonofluoridoylpiperidine-4-carboxylic acid (PubChem CID 143488886) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is 1-carbonofluoridoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-carbonofluoridoylpiperidine-4-carboxylic acid
PubChem CID143488886
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name1-carbonofluoridoylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)F)CC1
InChIInChI=1S/C7H10FNO3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H,10,11)
InChIKeyAELSMNJDQIPPKF-UHFFFAOYSA-N
XLogP0.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbonofluoridoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-carbonofluoridoylpiperidine-4-carboxylic acid (CID 143488886) is 1-carbonofluoridoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-carbonofluoridoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-carbonofluoridoylpiperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)F)CC1.
What is the InChIKey of 1-carbonofluoridoylpiperidine-4-carboxylic acid?
The InChIKey is AELSMNJDQIPPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H,10,11).
What are the key properties of 1-carbonofluoridoylpiperidine-4-carboxylic acid?
1-carbonofluoridoylpiperidine-4-carboxylic acid has a molecular weight of 175.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbonofluoridoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 143488886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).