N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide

C31H58N6O4 — CID 172907467

IUPACN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC12CN(CC(=O)NC3CC(C)(C)N(O)C(C)(C)C3)CC(C)(CN(CC(=O)NC3CC(C)(C)N(O)C(C)(C)C3)C1)C2
InChIInChI=1S/C31H58N6O4/c1-26(2)11-22(12-27(3,4)36(26)40)32-24(38)15-34-18-30(9)17-31(10,19-34)21-35(20-30)16-25(39)33-23-13-28(5,6)37(41)29(7,8)14-23/h22-23,40-41H,11-21H2,1-10H3,(H,32,38)(H,33,39)
InChIKeyIUOQIFHPECYQAM-UHFFFAOYSA-N
MW578.84 g/mol
LogP3.07
Rot. Bonds6

About N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide

N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide (PubChem CID 172907467) has the molecular formula C31H58N6O4 and a molecular weight of 578.84 g/mol. Its IUPAC name is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
PubChem CID172907467
Molecular FormulaC31H58N6O4
Molecular Weight578.84 g/mol
Exact Mass578.45
IUPAC NameN-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide
SMILESCC12CN(CC(=O)NC3CC(C)(C)N(O)C(C)(C)C3)CC(C)(CN(CC(=O)NC3CC(C)(C)N(O)C(C)(C)C3)C1)C2
InChIInChI=1S/C31H58N6O4/c1-26(2)11-22(12-27(3,4)36(26)40)32-24(38)15-34-18-30(9)17-31(10,19-34)21-35(20-30)16-25(39)33-23-13-28(5,6)37(41)29(7,8)14-23/h22-23,40-41H,11-21H2,1-10H3,(H,32,38)(H,33,39)
InChIKeyIUOQIFHPECYQAM-UHFFFAOYSA-N
XLogP3.07
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.84
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide?
The IUPAC name of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide (CID 172907467) is N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide?
The canonical SMILES for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide is CC12CN(CC(=O)NC3CC(C)(C)N(O)C(C)(C)C3)CC(C)(CN(CC(=O)NC3CC(C)(C)N(O)C(C)(C)C3)C1)C2.
What is the InChIKey of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide?
The InChIKey is IUOQIFHPECYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58N6O4/c1-26(2)11-22(12-27(3,4)36(26)40)32-24(38)15-34-18-30(9)17-31(10,19-34)21-35(20-30)16-25(39)33-23-13-28(5,6)37(41)29(7,8)14-23/h22-23,40-41H,11-21H2,1-10H3,(H,32,38)(H,33,39).
What are the key properties of N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide?
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide has a molecular weight of 578.84 g/mol, XLogP of 3.07, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-[7-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-2-oxoethyl]-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]acetamide is sourced from PubChem (CID 172907467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).