1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea

C24H25FN4O2 — CID 46951514

IUPAC1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(C2CCNCC2)n1
InChIInChI=1S/C24H25FN4O2/c1-16-14-22(15-23(27-16)17-10-12-26-13-11-17)31-21-8-6-20(7-9-21)29-24(30)28-19-4-2-18(25)3-5-19/h2-9,14-15,17,26H,10-13H2,1H3,(H2,28,29,30)
InChIKeyFTZWVFRXNYQBPK-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.43
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea

1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea (PubChem CID 46951514) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea
PubChem CID46951514
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea
SMILESCc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(C2CCNCC2)n1
InChIInChI=1S/C24H25FN4O2/c1-16-14-22(15-23(27-16)17-10-12-26-13-11-17)31-21-8-6-20(7-9-21)29-24(30)28-19-4-2-18(25)3-5-19/h2-9,14-15,17,26H,10-13H2,1H3,(H2,28,29,30)
InChIKeyFTZWVFRXNYQBPK-UHFFFAOYSA-N
XLogP5.43
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea (CID 46951514) is 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea is Cc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(C2CCNCC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea?
The InChIKey is FTZWVFRXNYQBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-14-22(15-23(27-16)17-10-12-26-13-11-17)31-21-8-6-20(7-9-21)29-24(30)28-19-4-2-18(25)3-5-19/h2-9,14-15,17,26H,10-13H2,1H3,(H2,28,29,30).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea has a molecular weight of 420.49 g/mol, XLogP of 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[(2-methyl-6-piperidin-4-yl-4-pyridinyl)oxy]phenyl]urea is sourced from PubChem (CID 46951514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).