(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C34H47N5O3 — CID 11577790

IUPAC(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C34H47N5O3/c1-22(2)19-28-31(40)35-29(26-20-24-9-7-8-10-25(24)21-26)33(42)39(28)30(32(41)36-34(3,4)5)23-11-13-27(14-12-23)38-17-15-37(6)16-18-38/h7-14,22,26,28-30H,15-21H2,1-6H3,(H,35,40)(H,36,41)/t28-,29-,30-/m1/s1
InChIKeyZHVLUANHYSPVLM-IDZRBWSNSA-N
MW573.78 g/mol
LogP3.55
Rot. Bonds7

About (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 11577790) has the molecular formula C34H47N5O3 and a molecular weight of 573.78 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID11577790
Molecular FormulaC34H47N5O3
Molecular Weight573.78 g/mol
Exact Mass573.37
IUPAC Name(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C34H47N5O3/c1-22(2)19-28-31(40)35-29(26-20-24-9-7-8-10-25(24)21-26)33(42)39(28)30(32(41)36-34(3,4)5)23-11-13-27(14-12-23)38-17-15-37(6)16-18-38/h7-14,22,26,28-30H,15-21H2,1-6H3,(H,35,40)(H,36,41)/t28-,29-,30-/m1/s1
InChIKeyZHVLUANHYSPVLM-IDZRBWSNSA-N
XLogP3.55
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.78
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide 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 (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 11577790) is (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is ZHVLUANHYSPVLM-IDZRBWSNSA-N. The full InChI is InChI=1S/C34H47N5O3/c1-22(2)19-28-31(40)35-29(26-20-24-9-7-8-10-25(24)21-26)33(42)39(28)30(32(41)36-34(3,4)5)23-11-13-27(14-12-23)38-17-15-37(6)16-18-38/h7-14,22,26,28-30H,15-21H2,1-6H3,(H,35,40)(H,36,41)/t28-,29-,30-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 573.78 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 11577790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).