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

C19H38N4O3 — CID 70847711

IUPAC1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C19H38N4O3/c1-16(2)9-13(10-17(3,4)22(16)25)20-15(24)21-14-11-18(5,6)23(26)19(7,8)12-14/h13-14,25-26H,9-12H2,1-8H3,(H2,20,21,24)
InChIKeyKHMIWPPSFNLUHX-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.11
Rot. Bonds2

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

1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea (PubChem CID 70847711) has the molecular formula C19H38N4O3 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea
PubChem CID70847711
Molecular FormulaC19H38N4O3
Molecular Weight370.54 g/mol
Exact Mass370.29
IUPAC Name1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea
SMILESCC1(C)CC(NC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O
InChIInChI=1S/C19H38N4O3/c1-16(2)9-13(10-17(3,4)22(16)25)20-15(24)21-14-11-18(5,6)23(26)19(7,8)12-14/h13-14,25-26H,9-12H2,1-8H3,(H2,20,21,24)
InChIKeyKHMIWPPSFNLUHX-UHFFFAOYSA-N
XLogP3.11
TPSA88.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea?
The IUPAC name of 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea (CID 70847711) is 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea.
What is the SMILES notation for 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea?
The canonical SMILES for 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea is CC1(C)CC(NC(=O)NC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O.
What is the InChIKey of 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea?
The InChIKey is KHMIWPPSFNLUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O3/c1-16(2)9-13(10-17(3,4)22(16)25)20-15(24)21-14-11-18(5,6)23(26)19(7,8)12-14/h13-14,25-26H,9-12H2,1-8H3,(H2,20,21,24).
What are the key properties of 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea?
1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea has a molecular weight of 370.54 g/mol, XLogP of 3.11, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)urea is sourced from PubChem (CID 70847711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).