2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide

C24H30N4O2 — CID 73438501

IUPAC2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N4O2/c1-30-23-10-5-4-9-22(23)28-15-13-27(14-16-28)12-6-11-25-24(29)17-19-18-26-21-8-3-2-7-20(19)21/h2-5,7-10,18,26H,6,11-17H2,1H3,(H,25,29)
InChIKeyAPDVLSKJSJILHD-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.05
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide

2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide (PubChem CID 73438501) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide
PubChem CID73438501
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H30N4O2/c1-30-23-10-5-4-9-22(23)28-15-13-27(14-16-28)12-6-11-25-24(29)17-19-18-26-21-8-3-2-7-20(19)21/h2-5,7-10,18,26H,6,11-17H2,1H3,(H,25,29)
InChIKeyAPDVLSKJSJILHD-UHFFFAOYSA-N
XLogP3.05
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide (CID 73438501) is 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide is COc1ccccc1N1CCN(CCCNC(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
The InChIKey is APDVLSKJSJILHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-30-23-10-5-4-9-22(23)28-15-13-27(14-16-28)12-6-11-25-24(29)17-19-18-26-21-8-3-2-7-20(19)21/h2-5,7-10,18,26H,6,11-17H2,1H3,(H,25,29).
What are the key properties of 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide?
2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 73438501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).