1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C18H28BrN3O — CID 33425498

IUPAC1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCN(Cc1ccc(Br)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H28BrN3O/c1-17(2)10-15(11-18(3,4)21-17)20-16(23)22(5)12-13-6-8-14(19)9-7-13/h6-9,15,21H,10-12H2,1-5H3,(H,20,23)
InChIKeyYRGKTNGIHARUER-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.90
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 33425498) has the molecular formula C18H28BrN3O and a molecular weight of 382.35 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID33425498
Molecular FormulaC18H28BrN3O
Molecular Weight382.35 g/mol
Exact Mass381.14
IUPAC Name1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCN(Cc1ccc(Br)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H28BrN3O/c1-17(2)10-15(11-18(3,4)21-17)20-16(23)22(5)12-13-6-8-14(19)9-7-13/h6-9,15,21H,10-12H2,1-5H3,(H,20,23)
InChIKeyYRGKTNGIHARUER-UHFFFAOYSA-N
XLogP3.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 33425498) is 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CN(Cc1ccc(Br)cc1)C(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is YRGKTNGIHARUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN3O/c1-17(2)10-15(11-18(3,4)21-17)20-16(23)22(5)12-13-6-8-14(19)9-7-13/h6-9,15,21H,10-12H2,1-5H3,(H,20,23).
What are the key properties of 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 382.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 33425498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).