(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide

C28H36N4O3 — CID 56950040

IUPAC(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1
InChIInChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1
InChIKeyOTJFIQFXAYGGLX-WXFUMESZSA-N
MW476.62 g/mol
LogP3.07
Rot. Bonds5

About (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide

(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 56950040) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID56950040
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1
InChIInChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1
InChIKeyOTJFIQFXAYGGLX-WXFUMESZSA-N
XLogP3.07
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide (CID 56950040) is (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc([C@H](C(=O)N(C)C)N2C(=O)[C@@H](C3Cc4ccccc4C3)NC(=O)[C@H]2CC(C)(C)C)cn1.
What is the InChIKey of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is OTJFIQFXAYGGLX-WXFUMESZSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-17-11-12-20(16-29-17)24(27(35)31(5)6)32-22(15-28(2,3)4)25(33)30-23(26(32)34)21-13-18-9-7-8-10-19(18)14-21/h7-12,16,21-24H,13-15H2,1-6H3,(H,30,33)/t22-,23-,24-/m1/s1.
What are the key properties of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide?
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 476.62 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 56950040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).