2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone

C21H29N3O2 — CID 659165

IUPAC2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H29N3O2/c1-26-17-7-8-20-18(13-17)19(14-22-20)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h7-8,13-14,16,22H,2-6,9-12,15H2,1H3
InChIKeySJTNEGOQTOADLM-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone

2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 659165) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID659165
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C21H29N3O2/c1-26-17-7-8-20-18(13-17)19(14-22-20)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h7-8,13-14,16,22H,2-6,9-12,15H2,1H3
InChIKeySJTNEGOQTOADLM-UHFFFAOYSA-N
XLogP3.31
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone (CID 659165) is 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is COc1ccc2[nH]cc(C(=O)CN3CCN(C4CCCCC4)CC3)c2c1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is SJTNEGOQTOADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-26-17-7-8-20-18(13-17)19(14-22-20)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h7-8,13-14,16,22H,2-6,9-12,15H2,1H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone?
2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 355.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).