(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide

C29H37N3O3 — CID 11677260

IUPAC(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C(C)C)c1ccccc1
InChIInChI=1S/C29H37N3O3/c1-18(2)15-24-27(33)30-25(23-16-21-13-9-10-14-22(21)17-23)28(34)32(24)26(20-11-7-6-8-12-20)29(35)31(5)19(3)4/h6-14,18-19,23-26H,15-17H2,1-5H3,(H,30,33)/t24-,25-,26-/m1/s1
InChIKeyWGJCFGKCSYODQG-TWJOJJKGSA-N
MW475.63 g/mol
LogP3.75
Rot. Bonds7

About (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide

(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide (PubChem CID 11677260) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide
PubChem CID11677260
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C(C)C)c1ccccc1
InChIInChI=1S/C29H37N3O3/c1-18(2)15-24-27(33)30-25(23-16-21-13-9-10-14-22(21)17-23)28(34)32(24)26(20-11-7-6-8-12-20)29(35)31(5)19(3)4/h6-14,18-19,23-26H,15-17H2,1-5H3,(H,30,33)/t24-,25-,26-/m1/s1
InChIKeyWGJCFGKCSYODQG-TWJOJJKGSA-N
XLogP3.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-cyclohexyl-2-[(2S)-2-(methylamino)propanamido]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 6918762
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11317764
(2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-(diphenylmethyl)pyrrolidine-2-carboxamide
CID 11351754
(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutylpiperazine-2,5-dione
CID 11295207
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(3R,6R)-1-[(1R)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11569527
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-(2,4-difluorophenyl)[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]ethanoic Acid
CID 11590614
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 11598736
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide (CID 11677260) is (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is WGJCFGKCSYODQG-TWJOJJKGSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-18(2)15-24-27(33)30-25(23-16-21-13-9-10-14-22(21)17-23)28(34)32(24)26(20-11-7-6-8-12-20)29(35)31(5)19(3)4/h6-14,18-19,23-26H,15-17H2,1-5H3,(H,30,33)/t24-,25-,26-/m1/s1.
What are the key properties of (2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide?
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 475.63 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methyl-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 11677260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).