1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C20H32BrN3O — CID 67679072

IUPAC1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc(C(C)(C)C)cc2Br)CC(C)(C)N1
InChIInChI=1S/C20H32BrN3O/c1-18(2,3)13-8-9-16(15(21)10-13)23-17(25)22-14-11-19(4,5)24-20(6,7)12-14/h8-10,14,24H,11-12H2,1-7H3,(H2,22,23,25)
InChIKeyLWADOHRCGROCQJ-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.18
Rot. Bonds2

About 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 67679072) has the molecular formula C20H32BrN3O and a molecular weight of 410.40 g/mol. Its IUPAC name is 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID67679072
Molecular FormulaC20H32BrN3O
Molecular Weight410.40 g/mol
Exact Mass409.17
IUPAC Name1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccc(C(C)(C)C)cc2Br)CC(C)(C)N1
InChIInChI=1S/C20H32BrN3O/c1-18(2,3)13-8-9-16(15(21)10-13)23-17(25)22-14-11-19(4,5)24-20(6,7)12-14/h8-10,14,24H,11-12H2,1-7H3,(H2,22,23,25)
InChIKeyLWADOHRCGROCQJ-UHFFFAOYSA-N
XLogP5.18
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 51168578
N'-(4-bromo-2-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522624
1-tert-butyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108896891
N'-(4-bromo-2-fluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 101395512
N-(2-bromo-4-tert-butylphenyl)-3-methylbut-2-enamide
CID 53268058
1-cyclobutyl-3-(2,4-dibromophenyl)urea
CID 115617878
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048
N'-(3-bromophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 108522496
N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
(2R)-2-(4-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
5-bromo-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyran-3-carboxamide
CID 661226
N-(2-bromo-4-tert-butylphenyl)-4-phenylbenzamide
CID 53267962

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 67679072) is 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)Nc2ccc(C(C)(C)C)cc2Br)CC(C)(C)N1.
What is the InChIKey of 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is LWADOHRCGROCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BrN3O/c1-18(2,3)13-8-9-16(15(21)10-13)23-17(25)22-14-11-19(4,5)24-20(6,7)12-14/h8-10,14,24H,11-12H2,1-7H3,(H2,22,23,25).
What are the key properties of 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 410.40 g/mol, XLogP of 5.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 67679072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).