(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione

C26H29F3N2O3 — CID 11569095

IUPAC(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione
SMILESCCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H29F3N2O3/c1-3-17(4-2)23-24(32)30-22(20-13-18-7-5-6-8-19(18)14-20)25(33)31(23)15-16-9-11-21(12-10-16)34-26(27,28)29/h5-12,17,20,22-23H,3-4,13-15H2,1-2H3,(H,30,32)/t22-,23-/m1/s1
InChIKeyXPXRWNXNYHBFAB-DHIUTWEWSA-N
MW474.52 g/mol
LogP4.63
Rot. Bonds7

About (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione

(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione (PubChem CID 11569095) has the molecular formula C26H29F3N2O3 and a molecular weight of 474.52 g/mol. Its IUPAC name is (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione
PubChem CID11569095
Molecular FormulaC26H29F3N2O3
Molecular Weight474.52 g/mol
Exact Mass474.21
IUPAC Name(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione
SMILESCCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C26H29F3N2O3/c1-3-17(4-2)23-24(32)30-22(20-13-18-7-5-6-8-19(18)14-20)25(33)31(23)15-16-9-11-21(12-10-16)34-26(27,28)29/h5-12,17,20,22-23H,3-4,13-15H2,1-2H3,(H,30,32)/t22-,23-/m1/s1
InChIKeyXPXRWNXNYHBFAB-DHIUTWEWSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-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

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
CID 23648302
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304
4-Fluoro-N-[2-(5-methoxy-1,3,4,4a,9,9a-hexahydro-indeno[2,1-c]pyridin-2-yl)-ethyl]-benzamide
CID 9907305
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 16288533
(3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-methoxy-benzyl)-piperazine-2,5-dione
CID 10045091
(3R,6S)-6-Benzyl-3-mercaptomethyl-1-(4-methoxy-benzyl)-piperazine-2,5-dione
CID 10809178
CID 11577662
CID 11577662
(2R)-N-tert-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11634960
(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-methoxyphenyl)acetamide
CID 11649100
1-Butyl-3-(cyclopentylmethyl)-9-[(4-phenoxyphenyl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 21927407
N-[2-(4-Cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-2-(2-trifluoromethyl-phenyl)-acetamide
CID 21994308
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[2-(4-indan-2-yl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 21994352

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione?
The IUPAC name of (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione (CID 11569095) is (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione?
The canonical SMILES for (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione is CCC(CC)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione?
The InChIKey is XPXRWNXNYHBFAB-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H29F3N2O3/c1-3-17(4-2)23-24(32)30-22(20-13-18-7-5-6-8-19(18)14-20)25(33)31(23)15-16-9-11-21(12-10-16)34-26(27,28)29/h5-12,17,20,22-23H,3-4,13-15H2,1-2H3,(H,30,32)/t22-,23-/m1/s1.
What are the key properties of (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione?
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione has a molecular weight of 474.52 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-yl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 11569095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).