3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid

C26H35N3O3 — CID 6480920

IUPAC3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid
SMILESC=Cc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C26H35N3O3/c1-4-22-25(18-8-6-5-7-9-18)21-11-10-19(26(31)32)16-23(21)29(22)17-24(30)28-14-12-20(13-15-28)27(2)3/h4,10-11,16,18,20H,1,5-9,12-15,17H2,2-3H3,(H,31,32)
InChIKeyZXFKERPRIISMJM-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.58
Rot. Bonds6

About 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid

3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid (PubChem CID 6480920) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid
PubChem CID6480920
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid
SMILESC=Cc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C26H35N3O3/c1-4-22-25(18-8-6-5-7-9-18)21-11-10-19(26(31)32)16-23(21)29(22)17-24(30)28-14-12-20(13-15-28)27(2)3/h4,10-11,16,18,20H,1,5-9,12-15,17H2,2-3H3,(H,31,32)
InChIKeyZXFKERPRIISMJM-UHFFFAOYSA-N
XLogP4.58
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5275447
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(3-fluoro-phenyl)-1H-indole-6-carboxylic acid
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3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-p-tolyl-1H-indole-6-carboxylic acid
CID 5275449
3-Cyclohexyl-1-dimethylcarbamoylmethyl-2-(4-methoxy-phenyl)-1H-indole-6-carboxylic acid
CID 5275450
4-[2-[4-[[(1-Propan-2-ylindazole-3-carbonyl)amino]methyl]piperidin-1-yl]ethyl]benzoic acid
CID 68490431
ERalpha degrader-2
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4-Methyl-3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid
CID 213321
1-Methyl-1H-indole-6-carboxylic acid
CID 19819261
1,2,3,4-Tetrahydropyrido[3,4-b]indole 15
CID 6539930

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid (CID 6480920) is 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid is C=Cc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid?
The InChIKey is ZXFKERPRIISMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-4-22-25(18-8-6-5-7-9-18)21-11-10-19(26(31)32)16-23(21)29(22)17-24(30)28-14-12-20(13-15-28)27(2)3/h4,10-11,16,18,20H,1,5-9,12-15,17H2,2-3H3,(H,31,32).
What are the key properties of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid?
3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid has a molecular weight of 437.58 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethenylindole-6-carboxylic acid is sourced from PubChem (CID 6480920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).