3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid

C31H37N3O3 — CID 11156284

IUPAC3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCC3)c(-c3ccccc3)n(CC(=O)N3CCC(N4CCCC4)CC3)c2c1
InChIInChI=1S/C31H37N3O3/c35-28(33-18-14-25(15-19-33)32-16-6-7-17-32)21-34-27-20-24(31(36)37)12-13-26(27)29(22-8-4-5-9-22)30(34)23-10-2-1-3-11-23/h1-3,10-13,20,22,25H,4-9,14-19,21H2,(H,36,37)
InChIKeyYSNKLOLUSIUTSS-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.75
Rot. Bonds6

About 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid

3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid (PubChem CID 11156284) has the molecular formula C31H37N3O3 and a molecular weight of 499.66 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid
PubChem CID11156284
Molecular FormulaC31H37N3O3
Molecular Weight499.66 g/mol
Exact Mass499.28
IUPAC Name3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCC3)c(-c3ccccc3)n(CC(=O)N3CCC(N4CCCC4)CC3)c2c1
InChIInChI=1S/C31H37N3O3/c35-28(33-18-14-25(15-19-33)32-16-6-7-17-32)21-34-27-20-24(31(36)37)12-13-26(27)29(22-8-4-5-9-22)30(34)23-10-2-1-3-11-23/h1-3,10-13,20,22,25H,4-9,14-19,21H2,(H,36,37)
InChIKeyYSNKLOLUSIUTSS-UHFFFAOYSA-N
XLogP5.75
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid with MolForge

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Related Compounds

2-(4-chlorophenyl)-3-cyclohexyl-1-[2-oxo-2-(3-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid
CID 11307345
3-cyclohexyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 69441984
3-cyclohexyl-1-[2-(ethenylamino)-2-oxoethyl]-2-phenylindole-6-carboxylic acid
CID 11211801
3-cyclohexyl-1-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-2-(4-phenylmethoxyphenyl)indole-6-carboxylic acid
CID 11387694
3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]indole-6-carboxylic acid
CID 11534840
2-[3-cyclohexyl-6-(2-ethylsulfonylacetyl)-2-phenylindol-1-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 58923420
3-cyclohexyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylindole-6-carboxylic acid
CID 58923486
3-cyclohexyl-2-(furan-3-yl)-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
CID 46232504
N-benzyl-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
CID 58923431
3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-thiophen-3-ylindole-6-carboxylic acid
CID 10026886
2-(4-chlorophenyl)-3-cyclohexyl-1-[2-oxo-2-(4-pentan-3-ylpiperazin-1-yl)ethyl]indole-6-carboxylic acid
CID 102184979
3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid
CID 11178349

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid?
The IUPAC name of 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid (CID 11156284) is 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid is O=C(O)c1ccc2c(C3CCCC3)c(-c3ccccc3)n(CC(=O)N3CCC(N4CCCC4)CC3)c2c1.
What is the InChIKey of 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid?
The InChIKey is YSNKLOLUSIUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O3/c35-28(33-18-14-25(15-19-33)32-16-6-7-17-32)21-34-27-20-24(31(36)37)12-13-26(27)29(22-8-4-5-9-22)30(34)23-10-2-1-3-11-23/h1-3,10-13,20,22,25H,4-9,14-19,21H2,(H,36,37).
What are the key properties of 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid?
3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid has a molecular weight of 499.66 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-oxo-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]-2-phenylindole-6-carboxylic acid is sourced from PubChem (CID 11156284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).