1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

C20H22F3N3O — CID 23609261

IUPAC1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(Cc2ccc(F)cc2)CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C20H22F3N3O/c21-16-3-1-15(2-4-16)13-26-9-7-14(8-10-26)12-24-20(27)25-19-11-17(22)5-6-18(19)23/h1-6,11,14H,7-10,12-13H2,(H2,24,25,27)
InChIKeyNCWUCGYSLILFFY-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.14
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea

1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 23609261) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID23609261
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea
SMILESO=C(NCC1CCN(Cc2ccc(F)cc2)CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C20H22F3N3O/c21-16-3-1-15(2-4-16)13-26-9-7-14(8-10-26)12-24-20(27)25-19-11-17(22)5-6-18(19)23/h1-6,11,14H,7-10,12-13H2,(H2,24,25,27)
InChIKeyNCWUCGYSLILFFY-UHFFFAOYSA-N
XLogP4.14
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea (CID 23609261) is 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is O=C(NCC1CCN(Cc2ccc(F)cc2)CC1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is NCWUCGYSLILFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-16-3-1-15(2-4-16)13-26-9-7-14(8-10-26)12-24-20(27)25-19-11-17(22)5-6-18(19)23/h1-6,11,14H,7-10,12-13H2,(H2,24,25,27).
What are the key properties of 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea?
1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 377.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 23609261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).