3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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

C30H55N9O2 — CID 59041869

IUPAC3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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
SMILESCc1nc(NC(C)(C)CN2CC(C)(C)N(C)C(C)(C)C2=O)nc(NC(C)(C)CN2CC(C)(C)N(C)C(C)(C)C2=O)n1
InChIInChI=1S/C30H55N9O2/c1-20-31-23(34-25(2,3)16-38-18-27(6,7)36(14)29(10,11)21(38)40)33-24(32-20)35-26(4,5)17-39-19-28(8,9)37(15)30(12,13)22(39)41/h16-19H2,1-15H3,(H2,31,32,33,34,35)
InChIKeyDUTSRFIQPBKHLS-UHFFFAOYSA-N
MW573.83 g/mol
LogP3.22
Rot. Bonds8

About 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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

3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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 (PubChem CID 59041869) has the molecular formula C30H55N9O2 and a molecular weight of 573.83 g/mol. Its IUPAC name is 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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.

Molecular Properties

Compound Name3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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
PubChem CID59041869
Molecular FormulaC30H55N9O2
Molecular Weight573.83 g/mol
Exact Mass573.45
IUPAC Name3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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
SMILESCc1nc(NC(C)(C)CN2CC(C)(C)N(C)C(C)(C)C2=O)nc(NC(C)(C)CN2CC(C)(C)N(C)C(C)(C)C2=O)n1
InChIInChI=1S/C30H55N9O2/c1-20-31-23(34-25(2,3)16-38-18-27(6,7)36(14)29(10,11)21(38)40)33-24(32-20)35-26(4,5)17-39-19-28(8,9)37(15)30(12,13)22(39)41/h16-19H2,1-15H3,(H2,31,32,33,34,35)
InChIKeyDUTSRFIQPBKHLS-UHFFFAOYSA-N
XLogP3.22
TPSA109.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.83
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-((4-Amino-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl)methyl)-5,5-dimethylimidazolidine-2,4-dione (9)
CID 121238066
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 42929906
1-[2-[[4-Chloro-6-[propan-2-yl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-1,3,5-triazin-2-yl]-propan-2-ylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20153017
1-[2-[[4,6-Bis[butan-2-yl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-1,3,5-triazin-2-yl]-butan-2-ylamino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20153034
1-[2-[Butan-2-yl-[4-[butan-2-yl-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20263287
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]-3,3,5,5-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 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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?
The IUPAC name of 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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 59041869) is 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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.
What is the SMILES notation for 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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?
The canonical SMILES for 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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 is Cc1nc(NC(C)(C)CN2CC(C)(C)N(C)C(C)(C)C2=O)nc(NC(C)(C)CN2CC(C)(C)N(C)C(C)(C)C2=O)n1.
What is the InChIKey of 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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?
The InChIKey is DUTSRFIQPBKHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N9O2/c1-20-31-23(34-25(2,3)16-38-18-27(6,7)36(14)29(10,11)21(38)40)33-24(32-20)35-26(4,5)17-39-19-28(8,9)37(15)30(12,13)22(39)41/h16-19H2,1-15H3,(H2,31,32,33,34,35).
What are the key properties of 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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?
3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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 has a molecular weight of 573.83 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,5-pentamethyl-1-[2-methyl-2-[[4-methyl-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 is sourced from PubChem (CID 59041869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).