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

C25H32N4O2 — CID 73437673

IUPAC3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H32N4O2/c1-31-24-10-5-4-9-23(24)29-17-15-28(16-18-29)14-6-13-26-25(30)12-11-20-19-27-22-8-3-2-7-21(20)22/h2-5,7-10,19,27H,6,11-18H2,1H3,(H,26,30)
InChIKeyBBFIPEKVGBSHCU-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.44
Rot. Bonds9

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

3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide (PubChem CID 73437673) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide
PubChem CID73437673
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H32N4O2/c1-31-24-10-5-4-9-23(24)29-17-15-28(16-18-29)14-6-13-26-25(30)12-11-20-19-27-22-8-3-2-7-21(20)22/h2-5,7-10,19,27H,6,11-18H2,1H3,(H,26,30)
InChIKeyBBFIPEKVGBSHCU-UHFFFAOYSA-N
XLogP3.44
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.44
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 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide (CID 73437673) is 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide is COc1ccccc1N1CCN(CCCNC(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
The InChIKey is BBFIPEKVGBSHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-31-24-10-5-4-9-23(24)29-17-15-28(16-18-29)14-6-13-26-25(30)12-11-20-19-27-22-8-3-2-7-21(20)22/h2-5,7-10,19,27H,6,11-18H2,1H3,(H,26,30).
What are the key properties of 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide?
3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide has a molecular weight of 420.56 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]propanamide is sourced from PubChem (CID 73437673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).