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

C21H40N4O — CID 1306874

IUPAC1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one
SMILESCC1(C)CC(N2CC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1
InChIInChI=1S/C21H40N4O/c1-18(2)9-15(10-19(3,4)22-18)24-13-17(26)25(14-24)16-11-20(5,6)23-21(7,8)12-16/h15-16,22-23H,9-14H2,1-8H3
InChIKeyKHPROHXRPXNDEQ-UHFFFAOYSA-N
MW364.58 g/mol
LogP2.71
Rot. Bonds2

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

1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one (PubChem CID 1306874) has the molecular formula C21H40N4O and a molecular weight of 364.58 g/mol. Its IUPAC name is 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one
PubChem CID1306874
Molecular FormulaC21H40N4O
Molecular Weight364.58 g/mol
Exact Mass364.32
IUPAC Name1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one
SMILESCC1(C)CC(N2CC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC(C)(C)N1
InChIInChI=1S/C21H40N4O/c1-18(2)9-15(10-19(3,4)22-18)24-13-17(26)25(14-24)16-11-20(5,6)23-21(7,8)12-16/h15-16,22-23H,9-14H2,1-8H3
InChIKeyKHPROHXRPXNDEQ-UHFFFAOYSA-N
XLogP2.71
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one?
The IUPAC name of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one (CID 1306874) is 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one.
What is the SMILES notation for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one?
The canonical SMILES for 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one is CC1(C)CC(N2CC(=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)imidazolidin-4-one?
The InChIKey is KHPROHXRPXNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O/c1-18(2)9-15(10-19(3,4)22-18)24-13-17(26)25(14-24)16-11-20(5,6)23-21(7,8)12-16/h15-16,22-23H,9-14H2,1-8H3.
What are the key properties of 1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one?
1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)imidazolidin-4-one has a molecular weight of 364.58 g/mol, XLogP of 2.71, 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)imidazolidin-4-one is sourced from PubChem (CID 1306874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).