N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione

C45H77N9O9 — CID 91084747

IUPACN,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
SMILESCC1(C)NC(C)(C)C(=O)N(CCN(C=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.CN1C(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C24H42N4O4.C21H35N5O5/c1-21(2)17(29)27(18(30)22(3,4)25(21)9)15-13-11-12-14-16-28-19(31)23(5,6)26(10)24(7,8)20(28)32;1-18(2)14(28)25(15(29)19(3,4)22-18)11-9-24(13-27)10-12-26-16(30)20(5,6)23-21(7,8)17(26)31/h11-16H2,1-10H3;13,22-23H,9-12H2,1-8H3
InChIKeyQOAMXSJYWYERNM-UHFFFAOYSA-N
MW888.16 g/mol
LogP1.74
Rot. Bonds14

About N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione

N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione (PubChem CID 91084747) has the molecular formula C45H77N9O9 and a molecular weight of 888.16 g/mol. Its IUPAC name is N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione.

Molecular Properties

Compound NameN,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
PubChem CID91084747
Molecular FormulaC45H77N9O9
Molecular Weight888.16 g/mol
Exact Mass887.58
IUPAC NameN,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
SMILESCC1(C)NC(C)(C)C(=O)N(CCN(C=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.CN1C(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C
InChIInChI=1S/C24H42N4O4.C21H35N5O5/c1-21(2)17(29)27(18(30)22(3,4)25(21)9)15-13-11-12-14-16-28-19(31)23(5,6)26(10)24(7,8)20(28)32;1-18(2)14(28)25(15(29)19(3,4)22-18)11-9-24(13-27)10-12-26-16(30)20(5,6)23-21(7,8)17(26)31/h11-16H2,1-10H3;13,22-23H,9-12H2,1-8H3
InChIKeyQOAMXSJYWYERNM-UHFFFAOYSA-N
XLogP1.74
TPSA200.37 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.16
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione 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

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
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-[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
N-[6-[[2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(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 59345625
Methane;3,3,4,5,5-pentamethyl-1-[2-[6-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethylamino]hexylamino]ethyl]piperazin-2-one;3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
CID 158412801

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The IUPAC name of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione (CID 91084747) is N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione.
What is the SMILES notation for N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The canonical SMILES for N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione is CC1(C)NC(C)(C)C(=O)N(CCN(C=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.CN1C(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.
What is the InChIKey of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The InChIKey is QOAMXSJYWYERNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O4.C21H35N5O5/c1-21(2)17(29)27(18(30)22(3,4)25(21)9)15-13-11-12-14-16-28-19(31)23(5,6)26(10)24(7,8)20(28)32;1-18(2)14(28)25(15(29)19(3,4)22-18)11-9-24(13-27)10-12-26-16(30)20(5,6)23-21(7,8)17(26)31/h11-16H2,1-10H3;13,22-23H,9-12H2,1-8H3.
What are the key properties of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione has a molecular weight of 888.16 g/mol, XLogP of 1.74, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide;3,3,4,5,5-pentamethyl-1-[6-(3,3,4,5,5-pentamethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione is sourced from PubChem (CID 91084747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).