1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one

C35H66N10O2 — CID 21136888

IUPAC1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCc1nc(NC(C)(C)C)nc(N(CCCCCCN(C)CCN2CC(C)(C)NC(C)(C)C2=O)CCN2CC(C)(C)NC(C)(C)C2=O)n1
InChIInChI=1S/C35H66N10O2/c1-26-36-29(39-31(2,3)4)38-30(37-26)43(22-23-45-25-33(7,8)41-35(11,12)28(45)47)19-17-15-14-16-18-42(13)20-21-44-24-32(5,6)40-34(9,10)27(44)46/h40-41H,14-25H2,1-13H3,(H,36,37,38,39)
InChIKeyDOPZZZXYXIJPAM-UHFFFAOYSA-N
MW658.98 g/mol
LogP3.67
Rot. Bonds15

About 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one

1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one (PubChem CID 21136888) has the molecular formula C35H66N10O2 and a molecular weight of 658.98 g/mol. Its IUPAC name is 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
PubChem CID21136888
Molecular FormulaC35H66N10O2
Molecular Weight658.98 g/mol
Exact Mass658.54
IUPAC Name1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
SMILESCc1nc(NC(C)(C)C)nc(N(CCCCCCN(C)CCN2CC(C)(C)NC(C)(C)C2=O)CCN2CC(C)(C)NC(C)(C)C2=O)n1
InChIInChI=1S/C35H66N10O2/c1-26-36-29(39-31(2,3)4)38-30(37-26)43(22-23-45-25-33(7,8)41-35(11,12)28(45)47)19-17-15-14-16-18-42(13)20-21-44-24-32(5,6)40-34(9,10)27(44)46/h40-41H,14-25H2,1-13H3,(H,36,37,38,39)
InChIKeyDOPZZZXYXIJPAM-UHFFFAOYSA-N
XLogP3.67
TPSA121.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.98
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one with MolForge

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Related Compounds

Piperazinone, 1,1',1''-(1,3,5-triazine-2,4,6-triyltris((cyclohexylimino)-2,1-ethanediyl))tris(3,3,5,5-tetramethyl-
CID 20673357
1-[3-[4,6-Bis[1-(cyclohexylamino)-3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propyl]-1,3,5-triazin-2-yl]-3-(cyclohexylamino)propyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20153003
1-[2-[[4-Chloro-6-[cyclohexyl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-1,3,5-triazin-2-yl]-cyclohexylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20153018
1-[2-[[4-(Cyclohexylamino)-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20225390
1-[2-[[4-(Dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,4,5,5-pentamethylpiperazine-2,6-dione
CID 20741640
1-[2-[[4-(Dibutylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]amino]ethyl]-3,3,5,5-tetramethylpiperazine-2,6-dione
CID 20741641
1-[2-[Cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one
CID 20768143
1-[2-[Cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20768144
3,3,4,5,5-Pentamethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
CID 21055533
3,3,4,5,5-Pentamethyl-1-[2-methyl-2-[[4-[3-[methyl-[3-(methylamino)propyl]amino]propylamino]-6-[methyl-[2-methyl-1-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
CID 21055534
3,3,4,5,5-Pentamethyl-1-[2-methyl-2-[methyl-[4-[3-[methyl-[3-(methylamino)propyl]amino]propylamino]-6-[methyl-[2-methyl-1-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
CID 21055535
3,3,5,5-Tetramethyl-1-[2-methyl-2-[[4-[3-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]propylamino]-6-[[2-methyl-1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
CID 21055536

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The IUPAC name of 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one (CID 21136888) is 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one.
What is the SMILES notation for 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The canonical SMILES for 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one is Cc1nc(NC(C)(C)C)nc(N(CCCCCCN(C)CCN2CC(C)(C)NC(C)(C)C2=O)CCN2CC(C)(C)NC(C)(C)C2=O)n1.
What is the InChIKey of 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
The InChIKey is DOPZZZXYXIJPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66N10O2/c1-26-36-29(39-31(2,3)4)38-30(37-26)43(22-23-45-25-33(7,8)41-35(11,12)28(45)47)19-17-15-14-16-18-42(13)20-21-44-24-32(5,6)40-34(9,10)27(44)46/h40-41H,14-25H2,1-13H3,(H,36,37,38,39).
What are the key properties of 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one?
1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one has a molecular weight of 658.98 g/mol, XLogP of 3.67, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-[[4-(tert-butylamino)-6-methyl-1,3,5-triazin-2-yl]-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]hexyl-methylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one is sourced from PubChem (CID 21136888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).