1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one

C22H42N4O — CID 23451969

IUPAC1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESCC1(C)CC(N2CCCN(C3CC(C)(C)NC(C)(C)C3)C2=O)CC(C)(C)N1
InChIInChI=1S/C22H42N4O/c1-19(2)12-16(13-20(3,4)23-19)25-10-9-11-26(18(25)27)17-14-21(5,6)24-22(7,8)15-17/h16-17,23-24H,9-15H2,1-8H3
InChIKeyOYRJPJVCDSVYQE-UHFFFAOYSA-N
MW378.61 g/mol
LogP3.73
Rot. Bonds2

About 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one

1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one (PubChem CID 23451969) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one
PubChem CID23451969
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESCC1(C)CC(N2CCCN(C3CC(C)(C)NC(C)(C)C3)C2=O)CC(C)(C)N1
InChIInChI=1S/C22H42N4O/c1-19(2)12-16(13-20(3,4)23-19)25-10-9-11-26(18(25)27)17-14-21(5,6)24-22(7,8)15-17/h16-17,23-24H,9-15H2,1-8H3
InChIKeyOYRJPJVCDSVYQE-UHFFFAOYSA-N
XLogP3.73
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one?
The IUPAC name of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one (CID 23451969) is 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one is CC1(C)CC(N2CCCN(C3CC(C)(C)NC(C)(C)C3)C2=O)CC(C)(C)N1.
What is the InChIKey of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one?
The InChIKey is OYRJPJVCDSVYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O/c1-19(2)12-16(13-20(3,4)23-19)25-10-9-11-26(18(25)27)17-14-21(5,6)24-22(7,8)15-17/h16-17,23-24H,9-15H2,1-8H3.
What are the key properties of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one?
1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one has a molecular weight of 378.61 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 23451969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).