[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid

C13H16FN3O3 — CID 89456782

IUPAC[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(C(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C13H16FN3O3/c1-16(13(19)20)10-3-6-17(7-4-10)12(18)9-2-5-15-11(14)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,20)
InChIKeyMWURSKIWWJVTPQ-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.44
Rot. Bonds2

About [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid

[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid (PubChem CID 89456782) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid
PubChem CID89456782
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(C(=O)c2ccnc(F)c2)CC1
InChIInChI=1S/C13H16FN3O3/c1-16(13(19)20)10-3-6-17(7-4-10)12(18)9-2-5-15-11(14)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,20)
InChIKeyMWURSKIWWJVTPQ-UHFFFAOYSA-N
XLogP1.44
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid (CID 89456782) is [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(C(=O)c2ccnc(F)c2)CC1.
What is the InChIKey of [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid?
The InChIKey is MWURSKIWWJVTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-16(13(19)20)10-3-6-17(7-4-10)12(18)9-2-5-15-11(14)8-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,19,20).
What are the key properties of [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid?
[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid has a molecular weight of 281.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 89456782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).