1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one

C23H45N5O — CID 19373534

IUPAC1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESCC1(C)CC(NCCN2CCN(C3CC(C)(C)NC(C)(C)C3)C2=O)CC(C)(C)N1
InChIInChI=1S/C23H45N5O/c1-20(2)13-17(14-21(3,4)25-20)24-9-10-27-11-12-28(19(27)29)18-15-22(5,6)26-23(7,8)16-18/h17-18,24-26H,9-16H2,1-8H3
InChIKeyALJGTTVTVZLYHN-UHFFFAOYSA-N
MW407.65 g/mol
LogP2.93
Rot. Bonds5

About 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one

1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one (PubChem CID 19373534) has the molecular formula C23H45N5O and a molecular weight of 407.65 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one
PubChem CID19373534
Molecular FormulaC23H45N5O
Molecular Weight407.65 g/mol
Exact Mass407.36
IUPAC Name1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one
SMILESCC1(C)CC(NCCN2CCN(C3CC(C)(C)NC(C)(C)C3)C2=O)CC(C)(C)N1
InChIInChI=1S/C23H45N5O/c1-20(2)13-17(14-21(3,4)25-20)24-9-10-27-11-12-28(19(27)29)18-15-22(5,6)26-23(7,8)16-18/h17-18,24-26H,9-16H2,1-8H3
InChIKeyALJGTTVTVZLYHN-UHFFFAOYSA-N
XLogP2.93
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one (CID 19373534) is 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one is CC1(C)CC(NCCN2CCN(C3CC(C)(C)NC(C)(C)C3)C2=O)CC(C)(C)N1.
What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one?
The InChIKey is ALJGTTVTVZLYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O/c1-20(2)13-17(14-21(3,4)25-20)24-9-10-27-11-12-28(19(27)29)18-15-22(5,6)26-23(7,8)16-18/h17-18,24-26H,9-16H2,1-8H3.
What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one?
1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one has a molecular weight of 407.65 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 19373534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).