1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

C16H24ClN3O — CID 51168578

IUPAC1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccccc2Cl)CC(C)(C)N1
InChIInChI=1S/C16H24ClN3O/c1-15(2)9-11(10-16(3,4)20-15)18-14(21)19-13-8-6-5-7-12(13)17/h5-8,11,20H,9-10H2,1-4H3,(H2,18,19,21)
InChIKeyFNQJUCQXQFLVRX-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.77
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea

1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 51168578) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID51168578
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)Nc2ccccc2Cl)CC(C)(C)N1
InChIInChI=1S/C16H24ClN3O/c1-15(2)9-11(10-16(3,4)20-15)18-14(21)19-13-8-6-5-7-12(13)17/h5-8,11,20H,9-10H2,1-4H3,(H2,18,19,21)
InChIKeyFNQJUCQXQFLVRX-UHFFFAOYSA-N
XLogP3.77
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2,4-dichlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 53326882
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 112729526
1-(2-bromo-4-tert-butylphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 67679072
1-(2-chlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 7256191
2-amino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 61248466
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide;hydrochloride
CID 126477708
1-(2-chlorophenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111472645
1-(phenoxymethyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 108888896
1-[(1R)-2-methyl-1-phenylpropyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33424524
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 2374069
1-[(1R)-1-(2-methylphenyl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 33425430

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 51168578) is 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)Nc2ccccc2Cl)CC(C)(C)N1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is FNQJUCQXQFLVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-15(2)9-11(10-16(3,4)20-15)18-14(21)19-13-8-6-5-7-12(13)17/h5-8,11,20H,9-10H2,1-4H3,(H2,18,19,21).
What are the key properties of 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 309.84 g/mol, XLogP of 3.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 51168578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).