3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

C31H41N3 — CID 134563411

IUPAC3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CCc5ccccc54)c4ccccc43)CC2)CC1
InChIInChI=1S/C31H41N3/c1-23(2)24-11-13-27(14-12-24)32-19-16-28(17-20-32)34-22-26(29-8-4-6-10-31(29)34)21-33-18-15-25-7-3-5-9-30(25)33/h3-10,22-24,27-28H,11-21H2,1-2H3
InChIKeyMEKUTJJVEKYPOH-UHFFFAOYSA-N
MW455.69 g/mol
LogP7.06
Rot. Bonds5

About 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole

3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole (PubChem CID 134563411) has the molecular formula C31H41N3 and a molecular weight of 455.69 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
PubChem CID134563411
Molecular FormulaC31H41N3
Molecular Weight455.69 g/mol
Exact Mass455.33
IUPAC Name3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole
SMILESCC(C)C1CCC(N2CCC(n3cc(CN4CCc5ccccc54)c4ccccc43)CC2)CC1
InChIInChI=1S/C31H41N3/c1-23(2)24-11-13-27(14-12-24)32-19-16-28(17-20-32)34-22-26(29-8-4-6-10-31(29)34)21-33-18-15-25-7-3-5-9-30(25)33/h3-10,22-24,27-28H,11-21H2,1-2H3
InChIKeyMEKUTJJVEKYPOH-UHFFFAOYSA-N
XLogP7.06
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.69
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole 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-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The IUPAC name of 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole (CID 134563411) is 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole is CC(C)C1CCC(N2CCC(n3cc(CN4CCc5ccccc54)c4ccccc43)CC2)CC1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
The InChIKey is MEKUTJJVEKYPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3/c1-23(2)24-11-13-27(14-12-24)32-19-16-28(17-20-32)34-22-26(29-8-4-6-10-31(29)34)21-33-18-15-25-7-3-5-9-30(25)33/h3-10,22-24,27-28H,11-21H2,1-2H3.
What are the key properties of 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole?
3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole has a molecular weight of 455.69 g/mol, XLogP of 7.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylmethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indole is sourced from PubChem (CID 134563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).