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

C39H69N9O6 — CID 57316011

IUPAC2-[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
SMILESCN1C(C)(C)CC(C(C(N)=O)n2c(=O)n(C(C(N)=O)C3CC(C)(C)N(C)C(C)(C)C3)c(=O)n(C(C(N)=O)C3CC(C)(C)N(C)C(C)(C)C3)c2=O)CC1(C)C
InChIInChI=1S/C39H69N9O6/c1-34(2)16-22(17-35(3,4)43(34)13)25(28(40)49)46-31(52)47(26(29(41)50)23-18-36(5,6)44(14)37(7,8)19-23)33(54)48(32(46)53)27(30(42)51)24-20-38(9,10)45(15)39(11,12)21-24/h22-27H,16-21H2,1-15H3,(H2,40,49)(H2,41,50)(H2,42,51)
InChIKeyQHENXRZCKSDMCE-UHFFFAOYSA-N
MW760.04 g/mol
LogP1.95
Rot. Bonds9

About 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

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 (PubChem CID 57316011) has the molecular formula C39H69N9O6 and a molecular weight of 760.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID57316011
Molecular FormulaC39H69N9O6
Molecular Weight760.04 g/mol
Exact Mass759.54
IUPAC Name2-[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
SMILESCN1C(C)(C)CC(C(C(N)=O)n2c(=O)n(C(C(N)=O)C3CC(C)(C)N(C)C(C)(C)C3)c(=O)n(C(C(N)=O)C3CC(C)(C)N(C)C(C)(C)C3)c2=O)CC1(C)C
InChIInChI=1S/C39H69N9O6/c1-34(2)16-22(17-35(3,4)43(34)13)25(28(40)49)46-31(52)47(26(29(41)50)23-18-36(5,6)44(14)37(7,8)19-23)33(54)48(32(46)53)27(30(42)51)24-20-38(9,10)45(15)39(11,12)21-24/h22-27H,16-21H2,1-15H3,(H2,40,49)(H2,41,50)(H2,42,51)
InChIKeyQHENXRZCKSDMCE-UHFFFAOYSA-N
XLogP1.95
TPSA204.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.04
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 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 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
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
N-(2,2,6,6-tetramethylpiperidin-4-yl)-5-[2,4,6-trioxo-3,5-bis[5-oxo-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentyl]-1,3,5-triazinan-1-yl]pentanamide
CID 70542561
N-[1-[[2-[1-[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 70940073
(2S)-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-2-carboxamide;N-methyl-2-(1-methylpiperidin-4-yl)piperidine-1-carboxamide;1-[2-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one
CID 159868786
N-[2-[1-[(2S)-4,7-dimethyl-8-[(2S)-4-[(2S)-4-methyl-1-oxo-1-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentan-2-yl]-3-oxopiperazin-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]octanoyl]piperidin-4-yl]ethyl]acetamide
CID 166659361
2-[1-[2-Methyl-4-[1-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-4-yl]pentan-2-yl]piperidin-4-yl]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 177967965

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1C(C)(C)CC(C(C(N)=O)n2c(=O)n(C(C(N)=O)C3CC(C)(C)N(C)C(C)(C)C3)c(=O)n(C(C(N)=O)C3CC(C)(C)N(C)C(C)(C)C3)c2=O)CC1(C)C.
What is the InChIKey of 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?
The InChIKey is QHENXRZCKSDMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H69N9O6/c1-34(2)16-22(17-35(3,4)43(34)13)25(28(40)49)46-31(52)47(26(29(41)50)23-18-36(5,6)44(14)37(7,8)19-23)33(54)48(32(46)53)27(30(42)51)24-20-38(9,10)45(15)39(11,12)21-24/h22-27H,16-21H2,1-15H3,(H2,40,49)(H2,41,50)(H2,42,51).
What are the key properties of 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?
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 has a molecular weight of 760.04 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 57316011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).