1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

C17H23F2N3O2 — CID 127228015

IUPAC1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-11(2)9-16(23)22-7-5-13(6-8-22)20-17(24)21-15-4-3-12(18)10-14(15)19/h3-4,10-11,13H,5-9H2,1-2H3,(H2,20,21,24)
InChIKeyOXNJSOWUTIQPAF-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.12
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea

1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (PubChem CID 127228015) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
PubChem CID127228015
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
SMILESCC(C)CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H23F2N3O2/c1-11(2)9-16(23)22-7-5-13(6-8-22)20-17(24)21-15-4-3-12(18)10-14(15)19/h3-4,10-11,13H,5-9H2,1-2H3,(H2,20,21,24)
InChIKeyOXNJSOWUTIQPAF-UHFFFAOYSA-N
XLogP3.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dichlorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47090143
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
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-(4-oxocyclohexyl)urea
CID 43652927
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455
3-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819641
1-[4-[[(2,4-difluorophenyl)-pyrazin-2-ylmethyl]amino]piperidin-1-yl]-3-methylbutan-1-one
CID 56662133
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea (CID 127228015) is 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea is CC(C)CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
The InChIKey is OXNJSOWUTIQPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-11(2)9-16(23)22-7-5-13(6-8-22)20-17(24)21-15-4-3-12(18)10-14(15)19/h3-4,10-11,13H,5-9H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea?
1-(2,4-difluorophenyl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea has a molecular weight of 339.39 g/mol, XLogP of 3.12, 4 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-[1-(3-methylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 127228015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).