cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone

C28H34N4O — CID 10181887

IUPACcyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CC1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C28H34N4O/c33-28(21-7-2-1-3-8-21)32-23(19-22-9-4-5-11-26(22)32)20-30-15-17-31(18-16-30)27-12-6-10-25-24(27)13-14-29-25/h4-6,9-14,21,23,29H,1-3,7-8,15-20H2
InChIKeyLPZSUJFMTQJYQJ-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.83
Rot. Bonds4

About cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone

cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone (PubChem CID 10181887) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
PubChem CID10181887
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Namecyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone
SMILESO=C(C1CCCCC1)N1c2ccccc2CC1CN1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C28H34N4O/c33-28(21-7-2-1-3-8-21)32-23(19-22-9-4-5-11-26(22)32)20-30-15-17-31(18-16-30)27-12-6-10-25-24(27)13-14-29-25/h4-6,9-14,21,23,29H,1-3,7-8,15-20H2
InChIKeyLPZSUJFMTQJYQJ-UHFFFAOYSA-N
XLogP4.83
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone (CID 10181887) is cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone is O=C(C1CCCCC1)N1c2ccccc2CC1CN1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is LPZSUJFMTQJYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c33-28(21-7-2-1-3-8-21)32-23(19-22-9-4-5-11-26(22)32)20-30-15-17-31(18-16-30)27-12-6-10-25-24(27)13-14-29-25/h4-6,9-14,21,23,29H,1-3,7-8,15-20H2.
What are the key properties of cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone?
cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 442.61 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 10181887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).