1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea

C16H17FN4O3 — CID 86791229

IUPAC1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccncc1F)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17FN4O3/c17-12-10-18-6-3-13(12)20-16(23)19-11-4-7-21(8-5-11)15(22)14-2-1-9-24-14/h1-3,6,9-11H,4-5,7-8H2,(H2,18,19,20,23)
InChIKeyVUGPTERPKCGGDF-UHFFFAOYSA-N
MW332.33 g/mol
LogP2.24
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea

1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea (PubChem CID 86791229) has the molecular formula C16H17FN4O3 and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
PubChem CID86791229
Molecular FormulaC16H17FN4O3
Molecular Weight332.33 g/mol
Exact Mass332.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccncc1F)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17FN4O3/c17-12-10-18-6-3-13(12)20-16(23)19-11-4-7-21(8-5-11)15(22)14-2-1-9-24-14/h1-3,6,9-11H,4-5,7-8H2,(H2,18,19,20,23)
InChIKeyVUGPTERPKCGGDF-UHFFFAOYSA-N
XLogP2.24
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea (CID 86791229) is 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea is O=C(Nc1ccncc1F)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is VUGPTERPKCGGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-12-10-18-6-3-13(12)20-16(23)19-11-4-7-21(8-5-11)15(22)14-2-1-9-24-14/h1-3,6,9-11H,4-5,7-8H2,(H2,18,19,20,23).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea?
1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 332.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 86791229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).