[1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone

C24H35N3O2 — CID 69491360

IUPAC[1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(C(C)C3CCCCC3)c3cc(OC)ccc23)CC1
InChIInChI=1S/C24H35N3O2/c1-4-25-12-14-26(15-13-25)24(28)22-17-27(18(2)19-8-6-5-7-9-19)23-16-20(29-3)10-11-21(22)23/h10-11,16-19H,4-9,12-15H2,1-3H3
InChIKeyFYDLPADTOIOHRX-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.57
Rot. Bonds5

About [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone

[1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 69491360) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID69491360
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name[1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cn(C(C)C3CCCCC3)c3cc(OC)ccc23)CC1
InChIInChI=1S/C24H35N3O2/c1-4-25-12-14-26(15-13-25)24(28)22-17-27(18(2)19-8-6-5-7-9-19)23-16-20(29-3)10-11-21(22)23/h10-11,16-19H,4-9,12-15H2,1-3H3
InChIKeyFYDLPADTOIOHRX-UHFFFAOYSA-N
XLogP4.57
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 69491360) is [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cn(C(C)C3CCCCC3)c3cc(OC)ccc23)CC1.
What is the InChIKey of [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is FYDLPADTOIOHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-4-25-12-14-26(15-13-25)24(28)22-17-27(18(2)19-8-6-5-7-9-19)23-16-20(29-3)10-11-21(22)23/h10-11,16-19H,4-9,12-15H2,1-3H3.
What are the key properties of [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
[1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 397.56 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclohexylethyl)-6-methoxyindol-3-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 69491360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).