1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea

C14H19F2N3O — CID 27235394

IUPAC1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
SMILESC[C@@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O/c1-9-4-3-5-10(2)19(9)18-14(20)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H2,17,18,20)/t9-,10+
InChIKeyXCCZBMWXNKEPEO-AOOOYVTPSA-N
MW283.32 g/mol
LogP3.26
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea

1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea (PubChem CID 27235394) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
PubChem CID27235394
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
SMILESC[C@@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O/c1-9-4-3-5-10(2)19(9)18-14(20)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H2,17,18,20)/t9-,10+
InChIKeyXCCZBMWXNKEPEO-AOOOYVTPSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
1-(2,6-dimethylphenyl)-3-(2,6-dimethylpiperidin-1-yl)urea
CID 6623844
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
1-(2,4-difluorophenyl)-3-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 6928627
1-(2,4-difluorophenyl)-3-[2-(hydroxymethyl)cyclopentyl]urea
CID 103710023
1-(2,4-difluorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108910070
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea (CID 27235394) is 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea is C[C@@H]1CCC[C@H](C)N1NC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea?
The InChIKey is XCCZBMWXNKEPEO-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9-4-3-5-10(2)19(9)18-14(20)17-13-7-6-11(15)8-12(13)16/h6-10H,3-5H2,1-2H3,(H2,17,18,20)/t9-,10+.
What are the key properties of 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea?
1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea has a molecular weight of 283.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea is sourced from PubChem (CID 27235394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).