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

C11H23N3O — CID 16645810

IUPAC1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H23N3O/c1-10(2)6-8(13-9(15)12-5)7-11(3,4)14-10/h8,14H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyJSSDVFLUNYTZIP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.22
Rot. Bonds1

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

1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 16645810) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID16645810
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCNC(=O)NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H23N3O/c1-10(2)6-8(13-9(15)12-5)7-11(3,4)14-10/h8,14H,6-7H2,1-5H3,(H2,12,13,15)
InChIKeyJSSDVFLUNYTZIP-UHFFFAOYSA-N
XLogP1.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 16645810) is 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is CNC(=O)NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is JSSDVFLUNYTZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2)6-8(13-9(15)12-5)7-11(3,4)14-10/h8,14H,6-7H2,1-5H3,(H2,12,13,15).
What are the key properties of 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea?
1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 16645810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).