3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea

C13H17F2N3O — CID 60800156

IUPAC3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
SMILESCN(C(=O)Nc1ccc(F)cc1F)C1CCCNC1
InChIInChI=1S/C13H17F2N3O/c1-18(10-3-2-6-16-8-10)13(19)17-12-5-4-9(14)7-11(12)15/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyTUZIOJBIXAEQHW-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.18
Rot. Bonds2

About 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea

3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea (PubChem CID 60800156) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
PubChem CID60800156
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
SMILESCN(C(=O)Nc1ccc(F)cc1F)C1CCCNC1
InChIInChI=1S/C13H17F2N3O/c1-18(10-3-2-6-16-8-10)13(19)17-12-5-4-9(14)7-11(12)15/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,19)
InChIKeyTUZIOJBIXAEQHW-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-4-yl)-3-(2-fluorophenyl)-1-methylurea
CID 107172661
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002
3-(2,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108063
3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
CID 60805584
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
2,6-difluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 60806728
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea (CID 60800156) is 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea is CN(C(=O)Nc1ccc(F)cc1F)C1CCCNC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea?
The InChIKey is TUZIOJBIXAEQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-18(10-3-2-6-16-8-10)13(19)17-12-5-4-9(14)7-11(12)15/h4-5,7,10,16H,2-3,6,8H2,1H3,(H,17,19).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea?
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea has a molecular weight of 269.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea is sourced from PubChem (CID 60800156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).