3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole

C27H32N4 — CID 10273133

IUPAC3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CCC(N2CCN(c3cccc4[nH]ccc34)CC2)CC1
InChIInChI=1S/C27H32N4/c1-19-27(23-5-2-3-6-25(23)29-19)20-9-11-21(12-10-20)30-15-17-31(18-16-30)26-8-4-7-24-22(26)13-14-28-24/h2-8,13-14,20-21,28-29H,9-12,15-18H2,1H3
InChIKeyORDLTNPENGIZSO-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.81
Rot. Bonds3

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

3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole (PubChem CID 10273133) has the molecular formula C27H32N4 and a molecular weight of 412.58 g/mol. Its IUPAC name is 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole
PubChem CID10273133
Molecular FormulaC27H32N4
Molecular Weight412.58 g/mol
Exact Mass412.26
IUPAC Name3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C1CCC(N2CCN(c3cccc4[nH]ccc34)CC2)CC1
InChIInChI=1S/C27H32N4/c1-19-27(23-5-2-3-6-25(23)29-19)20-9-11-21(12-10-20)30-15-17-31(18-16-30)26-8-4-7-24-22(26)13-14-28-24/h2-8,13-14,20-21,28-29H,9-12,15-18H2,1H3
InChIKeyORDLTNPENGIZSO-UHFFFAOYSA-N
XLogP5.81
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole?
The IUPAC name of 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole (CID 10273133) is 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C1CCC(N2CCN(c3cccc4[nH]ccc34)CC2)CC1.
What is the InChIKey of 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole?
The InChIKey is ORDLTNPENGIZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4/c1-19-27(23-5-2-3-6-25(23)29-19)20-9-11-21(12-10-20)30-15-17-31(18-16-30)26-8-4-7-24-22(26)13-14-28-24/h2-8,13-14,20-21,28-29H,9-12,15-18H2,1H3.
What are the key properties of 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole?
3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole has a molecular weight of 412.58 g/mol, XLogP of 5.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(1H-indol-4-yl)piperazin-1-yl]cyclohexyl]-2-methyl-1H-indole is sourced from PubChem (CID 10273133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).