[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea

C14H19F2N3O2 — CID 140853599

IUPAC[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea
SMILESCOc1cc(F)c(C2C(NC(N)=O)CCCN2C)c(F)c1
InChIInChI=1S/C14H19F2N3O2/c1-19-5-3-4-11(18-14(17)20)13(19)12-9(15)6-8(21-2)7-10(12)16/h6-7,11,13H,3-5H2,1-2H3,(H3,17,18,20)
InChIKeyDFXJJTPPNXYQGI-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.78
Rot. Bonds3

About [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea

[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea (PubChem CID 140853599) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea.

Molecular Properties

Compound Name[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea
PubChem CID140853599
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea
SMILESCOc1cc(F)c(C2C(NC(N)=O)CCCN2C)c(F)c1
InChIInChI=1S/C14H19F2N3O2/c1-19-5-3-4-11(18-14(17)20)13(19)12-9(15)6-8(21-2)7-10(12)16/h6-7,11,13H,3-5H2,1-2H3,(H3,17,18,20)
InChIKeyDFXJJTPPNXYQGI-UHFFFAOYSA-N
XLogP1.78
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea?
The IUPAC name of [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea (CID 140853599) is [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea.
What is the SMILES notation for [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea?
The canonical SMILES for [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea is COc1cc(F)c(C2C(NC(N)=O)CCCN2C)c(F)c1.
What is the InChIKey of [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea?
The InChIKey is DFXJJTPPNXYQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-19-5-3-4-11(18-14(17)20)13(19)12-9(15)6-8(21-2)7-10(12)16/h6-7,11,13H,3-5H2,1-2H3,(H3,17,18,20).
What are the key properties of [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea?
[2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea has a molecular weight of 299.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea is sourced from PubChem (CID 140853599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).