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

C26H37N3O3 — CID 6480918

IUPAC3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid
SMILESCCc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C26H37N3O3/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/h10-11,16,18,20H,4-9,12-15,17H2,1-3H3,(H,31,32)
InChIKeyRFEGIRHSGJJTLY-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.50
Rot. Bonds6

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

3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid (PubChem CID 6480918) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid
PubChem CID6480918
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid
SMILESCCc1c(C2CCCCC2)c2ccc(C(=O)O)cc2n1CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C26H37N3O3/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/h10-11,16,18,20H,4-9,12-15,17H2,1-3H3,(H,31,32)
InChIKeyRFEGIRHSGJJTLY-UHFFFAOYSA-N
XLogP4.50
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid?
The IUPAC name of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid (CID 6480918) is 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid is CCc1c(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-ethylindole-6-carboxylic acid?
The InChIKey is RFEGIRHSGJJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/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/h10-11,16,18,20H,4-9,12-15,17H2,1-3H3,(H,31,32).
What are the key properties of 3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid?
3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-2-ethylindole-6-carboxylic acid has a molecular weight of 439.60 g/mol, XLogP of 4.50, 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-ethylindole-6-carboxylic acid is sourced from PubChem (CID 6480918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).