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

C16H31N3O — CID 707316

IUPAC1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C16H31N3O/c1-15(2)10-13(11-16(3,4)19-15)18-14(20)17-12-8-6-5-7-9-12/h12-13,19H,5-11H2,1-4H3,(H2,17,18,20)
InChIKeyROQXTAUUWSZSGL-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.93
Rot. Bonds2

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

1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 707316) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID707316
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CCCCC2)CC(C)(C)N1
InChIInChI=1S/C16H31N3O/c1-15(2)10-13(11-16(3,4)19-15)18-14(20)17-12-8-6-5-7-9-12/h12-13,19H,5-11H2,1-4H3,(H2,17,18,20)
InChIKeyROQXTAUUWSZSGL-UHFFFAOYSA-N
XLogP2.93
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 707316) is 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NC2CCCCC2)CC(C)(C)N1.
What is the InChIKey of 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is ROQXTAUUWSZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2)10-13(11-16(3,4)19-15)18-14(20)17-12-8-6-5-7-9-12/h12-13,19H,5-11H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 281.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 707316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).