1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea

C17H19FN4O2 — CID 142622801

IUPAC1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(O)cn1)NC1CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O2/c18-12-3-5-14(6-4-12)22-9-1-2-13(11-22)20-17(24)21-16-8-7-15(23)10-19-16/h3-8,10,13,23H,1-2,9,11H2,(H2,19,20,21,24)
InChIKeyZZUUJBHXRHBIBM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.72
Rot. Bonds3

About 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea

1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea (PubChem CID 142622801) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea
PubChem CID142622801
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(O)cn1)NC1CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C17H19FN4O2/c18-12-3-5-14(6-4-12)22-9-1-2-13(11-22)20-17(24)21-16-8-7-15(23)10-19-16/h3-8,10,13,23H,1-2,9,11H2,(H2,19,20,21,24)
InChIKeyZZUUJBHXRHBIBM-UHFFFAOYSA-N
XLogP2.72
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea (CID 142622801) is 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea is O=C(Nc1ccc(O)cn1)NC1CCCN(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea?
The InChIKey is ZZUUJBHXRHBIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-12-3-5-14(6-4-12)22-9-1-2-13(11-22)20-17(24)21-16-8-7-15(23)10-19-16/h3-8,10,13,23H,1-2,9,11H2,(H2,19,20,21,24).
What are the key properties of 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea?
1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea has a molecular weight of 330.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)piperidin-3-yl]-3-(5-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 142622801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).