2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C32H36F3N5O4 — CID 19074526

IUPAC2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C32H36F3N5O4/c1-39(17-21-11-5-7-13-24(21)32(33,34)35)30(43)26(15-22-16-36-25-14-8-6-12-23(22)25)37-27(41)18-40-19-28(42)38-29(31(40)44)20-9-3-2-4-10-20/h5-8,11-14,16,20,26,29,36H,2-4,9-10,15,17-19H2,1H3,(H,37,41)(H,38,42)
InChIKeyDKRVRZCJRDMYRR-UHFFFAOYSA-N
MW611.67 g/mol
LogP3.78
Rot. Bonds9

About 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 19074526) has the molecular formula C32H36F3N5O4 and a molecular weight of 611.67 g/mol. Its IUPAC name is 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID19074526
Molecular FormulaC32H36F3N5O4
Molecular Weight611.67 g/mol
Exact Mass611.27
IUPAC Name2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CC(=O)NC(C2CCCCC2)C1=O
InChIInChI=1S/C32H36F3N5O4/c1-39(17-21-11-5-7-13-24(21)32(33,34)35)30(43)26(15-22-16-36-25-14-8-6-12-23(22)25)37-27(41)18-40-19-28(42)38-29(31(40)44)20-9-3-2-4-10-20/h5-8,11-14,16,20,26,29,36H,2-4,9-10,15,17-19H2,1H3,(H,37,41)(H,38,42)
InChIKeyDKRVRZCJRDMYRR-UHFFFAOYSA-N
XLogP3.78
TPSA114.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.67
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide with MolForge

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Related Compounds

2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[(3,4,5-triethylphenyl)methyl]propanamide
CID 19074632
N-[(2-chlorophenyl)methyl]-2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanamide
CID 19074519
N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55550324
N-acetyl-2-[[2-(2-cyclohexylpiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-[[3,4,5-tris(trifluoromethyl)phenyl]methyl]propanamide
CID 139793125
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(2-ethoxyphenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 19074790
2-[[2-(4-cyclohexylpiperazin-1-yl)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 19074601
3-(1H-indol-3-yl)-N-methyl-2-[[2-(4-piperidin-1-ylpiperidin-1-yl)acetyl]amino]-N-[(3,4,5-trichlorophenyl)methyl]propanamide
CID 19074829
N-[3-(1H-indol-3-yl)-1-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650442
2-[[2-(3-benzyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-N-[(3,4-dimethoxyphenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 19074690
N-[(2R)-1-[acetyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-[4-(5-chloro-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 67700783
2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 19074526) is 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN1CC(=O)NC(C2CCCCC2)C1=O.
What is the InChIKey of 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is DKRVRZCJRDMYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N5O4/c1-39(17-21-11-5-7-13-24(21)32(33,34)35)30(43)26(15-22-16-36-25-14-8-6-12-23(22)25)37-27(41)18-40-19-28(42)38-29(31(40)44)20-9-3-2-4-10-20/h5-8,11-14,16,20,26,29,36H,2-4,9-10,15,17-19H2,1H3,(H,37,41)(H,38,42).
What are the key properties of 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 611.67 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyclohexyl-2,5-dioxopiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 19074526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).