3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea

C24H24F2N4O2 — CID 10160316

IUPAC3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(c2ccc(O)cn2)CC1
InChIInChI=1S/C24H24F2N4O2/c1-29(21-8-10-30(11-9-21)23-7-6-22(31)15-27-23)24(32)28-20-4-2-16(3-5-20)17-12-18(25)14-19(26)13-17/h2-7,12-15,21,31H,8-11H2,1H3,(H,28,32)
InChIKeySGOZAZHMZHMHDJ-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.87
Rot. Bonds4

About 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea

3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea (PubChem CID 10160316) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea.

Molecular Properties

Compound Name3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea
PubChem CID10160316
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(c2ccc(O)cn2)CC1
InChIInChI=1S/C24H24F2N4O2/c1-29(21-8-10-30(11-9-21)23-7-6-22(31)15-27-23)24(32)28-20-4-2-16(3-5-20)17-12-18(25)14-19(26)13-17/h2-7,12-15,21,31H,8-11H2,1H3,(H,28,32)
InChIKeySGOZAZHMZHMHDJ-UHFFFAOYSA-N
XLogP4.87
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea 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 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea?
The IUPAC name of 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea (CID 10160316) is 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea.
What is the SMILES notation for 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea?
The canonical SMILES for 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea is CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(c2ccc(O)cn2)CC1.
What is the InChIKey of 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea?
The InChIKey is SGOZAZHMZHMHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-29(21-8-10-30(11-9-21)23-7-6-22(31)15-27-23)24(32)28-20-4-2-16(3-5-20)17-12-18(25)14-19(26)13-17/h2-7,12-15,21,31H,8-11H2,1H3,(H,28,32).
What are the key properties of 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea?
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea has a molecular weight of 438.48 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-hydroxy-2-pyridinyl)piperidin-4-yl]-1-methylurea is sourced from PubChem (CID 10160316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).