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

C13H27N3O — CID 2277117

IUPAC1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCCNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27N3O/c1-6-7-14-11(17)15-10-8-12(2,3)16-13(4,5)9-10/h10,16H,6-9H2,1-5H3,(H2,14,15,17)
InChIKeyVSLQMNDAUNPNTD-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.00
Rot. Bonds3

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

1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 2277117) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID2277117
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCCCNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C13H27N3O/c1-6-7-14-11(17)15-10-8-12(2,3)16-13(4,5)9-10/h10,16H,6-9H2,1-5H3,(H2,14,15,17)
InChIKeyVSLQMNDAUNPNTD-UHFFFAOYSA-N
XLogP2.00
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 2277117) is 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CCCNC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is VSLQMNDAUNPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-6-7-14-11(17)15-10-8-12(2,3)16-13(4,5)9-10/h10,16H,6-9H2,1-5H3,(H2,14,15,17).
What are the key properties of 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 241.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 2277117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).