1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C18H26FN3O — CID 108908076

IUPAC1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)N/C=C/c2ccc(F)cc2)CC(C)(C)N1
InChIInChI=1S/C18H26FN3O/c1-17(2)11-15(12-18(3,4)22-17)21-16(23)20-10-9-13-5-7-14(19)8-6-13/h5-10,15,22H,11-12H2,1-4H3,(H2,20,21,23)/b10-9+
InChIKeyMUWPEZAVLRSSLQ-MDZDMXLPSA-N
MW319.42 g/mol
LogP3.40
Rot. Bonds3

About 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 108908076) has the molecular formula C18H26FN3O and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID108908076
Molecular FormulaC18H26FN3O
Molecular Weight319.42 g/mol
Exact Mass319.21
IUPAC Name1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)N/C=C/c2ccc(F)cc2)CC(C)(C)N1
InChIInChI=1S/C18H26FN3O/c1-17(2)11-15(12-18(3,4)22-17)21-16(23)20-10-9-13-5-7-14(19)8-6-13/h5-10,15,22H,11-12H2,1-4H3,(H2,20,21,23)/b10-9+
InChIKeyMUWPEZAVLRSSLQ-MDZDMXLPSA-N
XLogP3.40
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 37031230
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
CID 108908546
2-amino-4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110102
methyl 2-[[(E)-2-(4-fluorophenyl)ethenyl]carbamoylamino]acetate
CID 108908234
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-prop-2-enylurea
CID 108908110
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
CID 108908260
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907580
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(3-hydroxypropyl)urea
CID 108908089
1-(1,1-dioxothiolan-3-yl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907370
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522018

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 108908076) is 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)N/C=C/c2ccc(F)cc2)CC(C)(C)N1.
What is the InChIKey of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is MUWPEZAVLRSSLQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H26FN3O/c1-17(2)11-15(12-18(3,4)22-17)21-16(23)20-10-9-13-5-7-14(19)8-6-13/h5-10,15,22H,11-12H2,1-4H3,(H2,20,21,23)/b10-9+.
What are the key properties of 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 319.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 108908076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).