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

C26H34N4O2 — CID 73437674

IUPAC4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H34N4O2/c1-32-25-12-5-4-11-24(25)30-18-16-29(17-19-30)15-7-14-27-26(31)13-6-8-21-20-28-23-10-3-2-9-22(21)23/h2-5,9-12,20,28H,6-8,13-19H2,1H3,(H,27,31)
InChIKeyPDKZRJZOEVFDRV-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.83
Rot. Bonds10

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

4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide (PubChem CID 73437674) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide
PubChem CID73437674
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C26H34N4O2/c1-32-25-12-5-4-11-24(25)30-18-16-29(17-19-30)15-7-14-27-26(31)13-6-8-21-20-28-23-10-3-2-9-22(21)23/h2-5,9-12,20,28H,6-8,13-19H2,1H3,(H,27,31)
InChIKeyPDKZRJZOEVFDRV-UHFFFAOYSA-N
XLogP3.83
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.83
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 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide (CID 73437674) is 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide is COc1ccccc1N1CCN(CCCNC(=O)CCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide?
The InChIKey is PDKZRJZOEVFDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-32-25-12-5-4-11-24(25)30-18-16-29(17-19-30)15-7-14-27-26(31)13-6-8-21-20-28-23-10-3-2-9-22(21)23/h2-5,9-12,20,28H,6-8,13-19H2,1H3,(H,27,31).
What are the key properties of 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide?
4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide has a molecular weight of 434.58 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]butanamide is sourced from PubChem (CID 73437674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).