1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone

C21H23N3O2 — CID 939595

IUPAC1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-26-17-7-8-18-19(14-22-20(18)13-17)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12,15H2,1H3
InChIKeyRRCVULZALZSQFK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.18
Rot. Bonds5

About 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone

1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 939595) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
PubChem CID939595
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
SMILESCOc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c[nH]c2c1
InChIInChI=1S/C21H23N3O2/c1-26-17-7-8-18-19(14-22-20(18)13-17)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12,15H2,1H3
InChIKeyRRCVULZALZSQFK-UHFFFAOYSA-N
XLogP3.18
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone (CID 939595) is 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone is COc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is RRCVULZALZSQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-17-7-8-18-19(14-22-20(18)13-17)21(25)15-23-9-11-24(12-10-23)16-5-3-2-4-6-16/h2-8,13-14,22H,9-12,15H2,1H3.
What are the key properties of 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone?
1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 349.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 939595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).