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

C22H42N4O — CID 1309454

IUPAC1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one
SMILESCC1(C)CC(N2CCC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1
InChIInChI=1S/C22H42N4O/c1-19(2)11-16(12-20(3,4)23-19)25-10-9-18(27)26(15-25)17-13-21(5,6)24-22(7,8)14-17/h16-17,23-24H,9-15H2,1-8H3
InChIKeyHXYMPEFUVKOMEX-UHFFFAOYSA-N
MW378.61 g/mol
LogP3.10
Rot. Bonds2

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

1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one (PubChem CID 1309454) 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-4-one.

Molecular Properties

Compound Name1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one
PubChem CID1309454
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one
SMILESCC1(C)CC(N2CCC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1
InChIInChI=1S/C22H42N4O/c1-19(2)11-16(12-20(3,4)23-19)25-10-9-18(27)26(15-25)17-13-21(5,6)24-22(7,8)14-17/h16-17,23-24H,9-15H2,1-8H3
InChIKeyHXYMPEFUVKOMEX-UHFFFAOYSA-N
XLogP3.10
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,6,6-Tetramethyl-4-piperidinyl)-3-((2,2,6,6-tetramethyl-4-piperidinyl)amino)propanamide
CID 198577
1,3-Dimethyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 20482954
3-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)propanamide
CID 1250923
1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione
CID 11135374
1,3-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)urea
CID 19790580
1-[6-[Dimethylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-3,3-dimethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 20482925
1,1-Dimethyl-3,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 20482927
1,1-Dibutyl-3,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 20482953
1-(2,2,6,6-Tetramethylpiperidin-4-yl)-1,3-diazinane-2,4-dione
CID 22966706
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propanamide
CID 22966879
1,3-Bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-diazinan-2-one
CID 23451952
1,3-Bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-2-one
CID 23451969

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one?
The IUPAC name of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one (CID 1309454) is 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one.
What is the SMILES notation for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one?
The canonical SMILES for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one is CC1(C)CC(N2CCC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1.
What is the InChIKey of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one?
The InChIKey is HXYMPEFUVKOMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O/c1-19(2)11-16(12-20(3,4)23-19)25-10-9-18(27)26(15-25)17-13-21(5,6)24-22(7,8)14-17/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-4-one?
1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-diazinan-4-one has a molecular weight of 378.61 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-4-one is sourced from PubChem (CID 1309454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).