N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide

C39H69N9O6 — CID 20550397

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide
SMILESCN1C(C)(C)CC(NC(=O)Cn2c(=O)n(CC(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c(=O)n(CC(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c2=O)CC1(C)C
InChIInChI=1S/C39H69N9O6/c1-34(2)16-25(17-35(3,4)43(34)13)40-28(49)22-46-31(52)47(23-29(50)41-26-18-36(5,6)44(14)37(7,8)19-26)33(54)48(32(46)53)24-30(51)42-27-20-38(9,10)45(15)39(11,12)21-27/h25-27H,16-24H2,1-15H3,(H,40,49)(H,41,50)(H,42,51)
InChIKeyYEXAOZGTDJPRDO-UHFFFAOYSA-N
MW760.04 g/mol
LogP1.47
Rot. Bonds9

About N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide (PubChem CID 20550397) has the molecular formula C39H69N9O6 and a molecular weight of 760.04 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide
PubChem CID20550397
Molecular FormulaC39H69N9O6
Molecular Weight760.04 g/mol
Exact Mass759.54
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide
SMILESCN1C(C)(C)CC(NC(=O)Cn2c(=O)n(CC(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c(=O)n(CC(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c2=O)CC1(C)C
InChIInChI=1S/C39H69N9O6/c1-34(2)16-25(17-35(3,4)43(34)13)40-28(49)22-46-31(52)47(23-29(50)41-26-18-36(5,6)44(14)37(7,8)19-26)33(54)48(32(46)53)24-30(51)42-27-20-38(9,10)45(15)39(11,12)21-27/h25-27H,16-24H2,1-15H3,(H,40,49)(H,41,50)(H,42,51)
InChIKeyYEXAOZGTDJPRDO-UHFFFAOYSA-N
XLogP1.47
TPSA163.02 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.04
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide with MolForge

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Related Compounds

(1,4'-Bipiperidine)-1',4'-dicarboxamide, N(sup 1'),N(sup 1''')-1,2-ethanediylbis(N(sup 1')-butyl-
CID 218625
1,3,5-Tris(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazinane-2,4,6-trione
CID 11135374
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 19834314
N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
CID 22088708
N-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-2-[5-[2-oxopropyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54318678
N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338408
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338409
N-[5-[[2-[4-[ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]butyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 54531064
2-[3,5-Bis[2-amino-2-oxo-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetamide
CID 57316011
N-[6-[[2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 58003096
N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-6-[[6-[6-oxoheptylcarbamoyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)hexanamide
CID 59050535
N-[3-[[2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 59345609

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide (CID 20550397) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide is CN1C(C)(C)CC(NC(=O)Cn2c(=O)n(CC(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c(=O)n(CC(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c2=O)CC1(C)C.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide?
The InChIKey is YEXAOZGTDJPRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H69N9O6/c1-34(2)16-25(17-35(3,4)43(34)13)40-28(49)22-46-31(52)47(23-29(50)41-26-18-36(5,6)44(14)37(7,8)19-26)33(54)48(32(46)53)24-30(51)42-27-20-38(9,10)45(15)39(11,12)21-27/h25-27H,16-24H2,1-15H3,(H,40,49)(H,41,50)(H,42,51).
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide has a molecular weight of 760.04 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-2-[2,4,6-trioxo-3,5-bis[2-oxo-2-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]ethyl]-1,3,5-triazinan-1-yl]acetamide is sourced from PubChem (CID 20550397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).