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

C16H18FN5O2 — CID 142622805

IUPAC1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(O)cn1)NC1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H18FN5O2/c17-11-1-4-15(19-9-11)22-7-5-12(6-8-22)20-16(24)21-14-3-2-13(23)10-18-14/h1-4,9-10,12,23H,5-8H2,(H2,18,20,21,24)
InChIKeySFPLAYSEWIRPQH-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.11
Rot. Bonds3

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

1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea (PubChem CID 142622805) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea
PubChem CID142622805
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea
SMILESO=C(Nc1ccc(O)cn1)NC1CCN(c2ccc(F)cn2)CC1
InChIInChI=1S/C16H18FN5O2/c17-11-1-4-15(19-9-11)22-7-5-12(6-8-22)20-16(24)21-14-3-2-13(23)10-18-14/h1-4,9-10,12,23H,5-8H2,(H2,18,20,21,24)
InChIKeySFPLAYSEWIRPQH-UHFFFAOYSA-N
XLogP2.11
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea (CID 142622805) is 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea is O=C(Nc1ccc(O)cn1)NC1CCN(c2ccc(F)cn2)CC1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea?
The InChIKey is SFPLAYSEWIRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c17-11-1-4-15(19-9-11)22-7-5-12(6-8-22)20-16(24)21-14-3-2-13(23)10-18-14/h1-4,9-10,12,23H,5-8H2,(H2,18,20,21,24).
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea?
1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea has a molecular weight of 331.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-3-(5-hydroxy-2-pyridinyl)urea is sourced from PubChem (CID 142622805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).