1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea

C14H19F2N3O — CID 47456871

IUPAC1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
SMILESCCN1CCC(NC(=O)Nc2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-2-19-8-6-10(7-9-19)17-14(20)18-12-5-3-4-11(15)13(12)16/h3-5,10H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyWLLIAGTVIHLLCS-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.57
Rot. Bonds3

About 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea

1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea (PubChem CID 47456871) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
PubChem CID47456871
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
SMILESCCN1CCC(NC(=O)Nc2cccc(F)c2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-2-19-8-6-10(7-9-19)17-14(20)18-12-5-3-4-11(15)13(12)16/h3-5,10H,2,6-9H2,1H3,(H2,17,18,20)
InChIKeyWLLIAGTVIHLLCS-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 75393640
1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
CID 47133044
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-(2-propoxyphenyl)urea
CID 49111775
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methylsulfanylphenyl)urea
CID 87009051
1-(3-chloro-2-fluorophenyl)-3-(1-phenylpiperidin-4-yl)urea
CID 86830653
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea (CID 47456871) is 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea is CCN1CCC(NC(=O)Nc2cccc(F)c2F)CC1.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea?
The InChIKey is WLLIAGTVIHLLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-2-19-8-6-10(7-9-19)17-14(20)18-12-5-3-4-11(15)13(12)16/h3-5,10H,2,6-9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea?
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea has a molecular weight of 283.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea is sourced from PubChem (CID 47456871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).