3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea

C24H24F2N4O — CID 20782328

IUPAC3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccc(F)cc2F)cc1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24F2N4O/c1-29(20-11-14-30(15-12-20)23-4-2-3-13-27-23)24(31)28-19-8-5-17(6-9-19)21-10-7-18(25)16-22(21)26/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,28,31)
InChIKeyHOQSWDYZIPYGRF-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.16
Rot. Bonds4

About 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea

3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 20782328) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID20782328
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC Name3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccc(F)cc2F)cc1)C1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24F2N4O/c1-29(20-11-14-30(15-12-20)23-4-2-3-13-27-23)24(31)28-19-8-5-17(6-9-19)21-10-7-18(25)16-22(21)26/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,28,31)
InChIKeyHOQSWDYZIPYGRF-UHFFFAOYSA-N
XLogP5.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
3-[4-(2-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20782336
3-[4-[3-[difluoro(phosphanyl)methyl]phenyl]-2-fluorophenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 142124765
1-[1-(6-bromopyrimidin-4-yl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782213
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 20782354
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
CID 20782286
1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 20782294
3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 170788464
4-(3,5-difluorophenyl)aniline;3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-3-ylpiperidin-4-yl)urea
CID 158600699
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10158780
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 20782328) is 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea is CN(C(=O)Nc1ccc(-c2ccc(F)cc2F)cc1)C1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is HOQSWDYZIPYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-29(20-11-14-30(15-12-20)23-4-2-3-13-27-23)24(31)28-19-8-5-17(6-9-19)21-10-7-18(25)16-22(21)26/h2-10,13,16,20H,11-12,14-15H2,1H3,(H,28,31).
What are the key properties of 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea?
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 422.48 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 20782328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).