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

C24H46N4O — CID 23451952

IUPAC1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESCN1C(C)(C)CC(N2CCCN(C3CC(C)(C)N(C)C(C)(C)C3)C2=O)CC1(C)C
InChIInChI=1S/C24H46N4O/c1-21(2)14-18(15-22(3,4)25(21)9)27-12-11-13-28(20(27)29)19-16-23(5,6)26(10)24(7,8)17-19/h18-19H,11-17H2,1-10H3
InChIKeyOCDQBKNEOLOYQJ-UHFFFAOYSA-N
MW406.66 g/mol
LogP4.42
Rot. Bonds2

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

1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one (PubChem CID 23451952) has the molecular formula C24H46N4O and a molecular weight of 406.66 g/mol. Its IUPAC name is 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one
PubChem CID23451952
Molecular FormulaC24H46N4O
Molecular Weight406.66 g/mol
Exact Mass406.37
IUPAC Name1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one
SMILESCN1C(C)(C)CC(N2CCCN(C3CC(C)(C)N(C)C(C)(C)C3)C2=O)CC1(C)C
InChIInChI=1S/C24H46N4O/c1-21(2)14-18(15-22(3,4)25(21)9)27-12-11-13-28(20(27)29)19-16-23(5,6)26(10)24(7,8)17-19/h18-19H,11-17H2,1-10H3
InChIKeyOCDQBKNEOLOYQJ-UHFFFAOYSA-N
XLogP4.42
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 54.42
H-Bond Donors ≤ 50
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)-1,3-diazinan-2-one?
The IUPAC name of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one (CID 23451952) is 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one is CN1C(C)(C)CC(N2CCCN(C3CC(C)(C)N(C)C(C)(C)C3)C2=O)CC1(C)C.
What is the InChIKey of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one?
The InChIKey is OCDQBKNEOLOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4O/c1-21(2)14-18(15-22(3,4)25(21)9)27-12-11-13-28(20(27)29)19-16-23(5,6)26(10)24(7,8)17-19/h18-19H,11-17H2,1-10H3.
What are the key properties of 1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one?
1,3-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one has a molecular weight of 406.66 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 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)-1,3-diazinan-2-one is sourced from PubChem (CID 23451952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).