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

C24H30N4 — CID 10667151

IUPAC3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole
SMILESc1ccc(N2CCN(CC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1
InChIInChI=1S/C24H30N4/c1-2-6-23-21(5-1)22(17-26-23)20-10-8-19(9-11-20)18-27-13-15-28(16-14-27)24-7-3-4-12-25-24/h1-7,12,17,19-20,26H,8-11,13-16,18H2
InChIKeyWYVYDCVFEZZZCK-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.66
Rot. Bonds4

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

3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole (PubChem CID 10667151) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole
PubChem CID10667151
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole
SMILESc1ccc(N2CCN(CC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1
InChIInChI=1S/C24H30N4/c1-2-6-23-21(5-1)22(17-26-23)20-10-8-19(9-11-20)18-27-13-15-28(16-14-27)24-7-3-4-12-25-24/h1-7,12,17,19-20,26H,8-11,13-16,18H2
InChIKeyWYVYDCVFEZZZCK-UHFFFAOYSA-N
XLogP4.66
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole?
The IUPAC name of 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole (CID 10667151) is 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole.
What is the SMILES notation for 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole?
The canonical SMILES for 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole is c1ccc(N2CCN(CC3CCC(c4c[nH]c5ccccc45)CC3)CC2)nc1.
What is the InChIKey of 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole?
The InChIKey is WYVYDCVFEZZZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-2-6-23-21(5-1)22(17-26-23)20-10-8-19(9-11-20)18-27-13-15-28(16-14-27)24-7-3-4-12-25-24/h1-7,12,17,19-20,26H,8-11,13-16,18H2.
What are the key properties of 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole?
3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole has a molecular weight of 374.53 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10667151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).