[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate

C16H17FN4O3 — CID 142622771

IUPAC[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate
SMILESO=C(Nc1ccc(O)cn1)OC1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H17FN4O3/c17-11-1-4-15(19-9-11)21-7-5-13(6-8-21)24-16(23)20-14-3-2-12(22)10-18-14/h1-4,9-10,13,22H,5-8H2,(H,18,20,23)
InChIKeyBSAYUYXYRIYNGJ-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.54
Rot. Bonds3

About [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate

[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate (PubChem CID 142622771) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate.

Molecular Properties

Compound Name[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate
PubChem CID142622771
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate
SMILESO=C(Nc1ccc(O)cn1)OC1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H17FN4O3/c17-11-1-4-15(19-9-11)21-7-5-13(6-8-21)24-16(23)20-14-3-2-12(22)10-18-14/h1-4,9-10,13,22H,5-8H2,(H,18,20,23)
InChIKeyBSAYUYXYRIYNGJ-UHFFFAOYSA-N
XLogP2.54
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate 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-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate?
The IUPAC name of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate (CID 142622771) is [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate.
What is the SMILES notation for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate?
The canonical SMILES for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate is O=C(Nc1ccc(O)cn1)OC1CCN(c2ccc(F)cn2)CC1.
What is the InChIKey of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate?
The InChIKey is BSAYUYXYRIYNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-11-1-4-15(19-9-11)21-7-5-13(6-8-21)24-16(23)20-14-3-2-12(22)10-18-14/h1-4,9-10,13,22H,5-8H2,(H,18,20,23).
What are the key properties of [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate?
[1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate has a molecular weight of 332.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-pyridinyl)piperidin-4-yl] N-(5-hydroxy-2-pyridinyl)carbamate is sourced from PubChem (CID 142622771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).