1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea

C21H42N4O — CID 19790580

IUPAC1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCN1C(C)(C)CC(NC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C21H42N4O/c1-18(2)11-15(12-19(3,4)24(18)9)22-17(26)23-16-13-20(5,6)25(10)21(7,8)14-16/h15-16H,11-14H2,1-10H3,(H2,22,23,26)
InChIKeyWGCIWQQFBWXFGG-UHFFFAOYSA-N
MW366.59 g/mol
LogP3.59
Rot. Bonds2

About 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea

1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (PubChem CID 19790580) has the molecular formula C21H42N4O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
PubChem CID19790580
Molecular FormulaC21H42N4O
Molecular Weight366.59 g/mol
Exact Mass366.34
IUPAC Name1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
SMILESCN1C(C)(C)CC(NC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C21H42N4O/c1-18(2)11-15(12-19(3,4)24(18)9)22-17(26)23-16-13-20(5,6)25(10)21(7,8)14-16/h15-16H,11-14H2,1-10H3,(H2,22,23,26)
InChIKeyWGCIWQQFBWXFGG-UHFFFAOYSA-N
XLogP3.59
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The IUPAC name of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea (CID 19790580) is 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea.
What is the SMILES notation for 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The canonical SMILES for 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is CN1C(C)(C)CC(NC(=O)NC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
The InChIKey is WGCIWQQFBWXFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O/c1-18(2)11-15(12-19(3,4)24(18)9)22-17(26)23-16-13-20(5,6)25(10)21(7,8)14-16/h15-16H,11-14H2,1-10H3,(H2,22,23,26).
What are the key properties of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea?
1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea has a molecular weight of 366.59 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea is sourced from PubChem (CID 19790580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).