2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide

C24H36N4O3 — CID 123423854

IUPAC2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1CC(=O)N(C)CCN(C)C
InChIInChI=1S/C24H36N4O3/c1-16(2)12-20-23(30)25-22(19-13-17-8-6-7-9-18(17)14-19)24(31)28(20)15-21(29)27(5)11-10-26(3)4/h6-9,16,19-20,22H,10-15H2,1-5H3,(H,25,30)/t20-,22-/m1/s1
InChIKeySSXGNLAZFYOUBB-IFMALSPDSA-N
MW428.58 g/mol
LogP1.16
Rot. Bonds8

About 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide

2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide (PubChem CID 123423854) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
PubChem CID123423854
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1CC(=O)N(C)CCN(C)C
InChIInChI=1S/C24H36N4O3/c1-16(2)12-20-23(30)25-22(19-13-17-8-6-7-9-18(17)14-19)24(31)28(20)15-21(29)27(5)11-10-26(3)4/h6-9,16,19-20,22H,10-15H2,1-5H3,(H,25,30)/t20-,22-/m1/s1
InChIKeySSXGNLAZFYOUBB-IFMALSPDSA-N
XLogP1.16
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide (CID 123423854) is 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1CC(=O)N(C)CCN(C)C.
What is the InChIKey of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
The InChIKey is SSXGNLAZFYOUBB-IFMALSPDSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-16(2)12-20-23(30)25-22(19-13-17-8-6-7-9-18(17)14-19)24(31)28(20)15-21(29)27(5)11-10-26(3)4/h6-9,16,19-20,22H,10-15H2,1-5H3,(H,25,30)/t20-,22-/m1/s1.
What are the key properties of 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide?
2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide has a molecular weight of 428.58 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 123423854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).