1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole

C26H34N4 — CID 10692505

IUPAC1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole
SMILESCn1cc(C2CCC(CCN3CCN(c4ccccn4)CC3)CC2)c2ccccc21
InChIInChI=1S/C26H34N4/c1-28-20-24(23-6-2-3-7-25(23)28)22-11-9-21(10-12-22)13-15-29-16-18-30(19-17-29)26-8-4-5-14-27-26/h2-8,14,20-22H,9-13,15-19H2,1H3
InChIKeyLACILEXWDGRNHN-UHFFFAOYSA-N
MW402.59 g/mol
LogP5.06
Rot. Bonds5

About 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole

1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole (PubChem CID 10692505) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole.

Molecular Properties

Compound Name1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole
PubChem CID10692505
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole
SMILESCn1cc(C2CCC(CCN3CCN(c4ccccn4)CC3)CC2)c2ccccc21
InChIInChI=1S/C26H34N4/c1-28-20-24(23-6-2-3-7-25(23)28)22-11-9-21(10-12-22)13-15-29-16-18-30(19-17-29)26-8-4-5-14-27-26/h2-8,14,20-22H,9-13,15-19H2,1H3
InChIKeyLACILEXWDGRNHN-UHFFFAOYSA-N
XLogP5.06
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole?
The IUPAC name of 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole (CID 10692505) is 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole.
What is the SMILES notation for 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole?
The canonical SMILES for 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole is Cn1cc(C2CCC(CCN3CCN(c4ccccn4)CC3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole?
The InChIKey is LACILEXWDGRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1-28-20-24(23-6-2-3-7-25(23)28)22-11-9-21(10-12-22)13-15-29-16-18-30(19-17-29)26-8-4-5-14-27-26/h2-8,14,20-22H,9-13,15-19H2,1H3.
What are the key properties of 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole?
1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole has a molecular weight of 402.59 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]indole is sourced from PubChem (CID 10692505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).