3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide

C34H44N4O3 — CID 11455732

IUPAC3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
SMILESCN1CCCC(CNC(=O)c2ccc3c(C4CCCCC4)c(-c4ccccc4)n(CC(=O)N4CCOCC4)c3c2)C1
InChIInChI=1S/C34H44N4O3/c1-36-16-8-9-25(23-36)22-35-34(40)28-14-15-29-30(21-28)38(24-31(39)37-17-19-41-20-18-37)33(27-12-6-3-7-13-27)32(29)26-10-4-2-5-11-26/h3,6-7,12-15,21,25-26H,2,4-5,8-11,16-20,22-24H2,1H3,(H,35,40)
InChIKeyXZCJQFJOMSVXLE-UHFFFAOYSA-N
MW556.75 g/mol
LogP5.29
Rot. Bonds7

About 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide

3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide (PubChem CID 11455732) has the molecular formula C34H44N4O3 and a molecular weight of 556.75 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
PubChem CID11455732
Molecular FormulaC34H44N4O3
Molecular Weight556.75 g/mol
Exact Mass556.34
IUPAC Name3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide
SMILESCN1CCCC(CNC(=O)c2ccc3c(C4CCCCC4)c(-c4ccccc4)n(CC(=O)N4CCOCC4)c3c2)C1
InChIInChI=1S/C34H44N4O3/c1-36-16-8-9-25(23-36)22-35-34(40)28-14-15-29-30(21-28)38(24-31(39)37-17-19-41-20-18-37)33(27-12-6-3-7-13-27)32(29)26-10-4-2-5-11-26/h3,6-7,12-15,21,25-26H,2,4-5,8-11,16-20,22-24H2,1H3,(H,35,40)
InChIKeyXZCJQFJOMSVXLE-UHFFFAOYSA-N
XLogP5.29
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
The IUPAC name of 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide (CID 11455732) is 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide is CN1CCCC(CNC(=O)c2ccc3c(C4CCCCC4)c(-c4ccccc4)n(CC(=O)N4CCOCC4)c3c2)C1.
What is the InChIKey of 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
The InChIKey is XZCJQFJOMSVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O3/c1-36-16-8-9-25(23-36)22-35-34(40)28-14-15-29-30(21-28)38(24-31(39)37-17-19-41-20-18-37)33(27-12-6-3-7-13-27)32(29)26-10-4-2-5-11-26/h3,6-7,12-15,21,25-26H,2,4-5,8-11,16-20,22-24H2,1H3,(H,35,40).
What are the key properties of 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide?
3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide has a molecular weight of 556.75 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-morpholin-4-yl-2-oxoethyl)-2-phenylindole-6-carboxamide is sourced from PubChem (CID 11455732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).