2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide

C29H32N4O2 — CID 71151664

IUPAC2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1
InChIInChI=1S/C29H32N4O2/c30-29(34)25-10-4-5-13-28(25)35-21-7-15-31-17-19-32(20-18-31)26-11-6-12-27-24(26)14-16-33(27)22-23-8-2-1-3-9-23/h1-6,8-14,16H,7,15,17-22H2,(H2,30,34)
InChIKeyRODUYAHDHBLXFS-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.38
Rot. Bonds9

About 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide

2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide (PubChem CID 71151664) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide
PubChem CID71151664
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide
SMILESNC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1
InChIInChI=1S/C29H32N4O2/c30-29(34)25-10-4-5-13-28(25)35-21-7-15-31-17-19-32(20-18-31)26-11-6-12-27-24(26)14-16-33(27)22-23-8-2-1-3-9-23/h1-6,8-14,16H,7,15,17-22H2,(H2,30,34)
InChIKeyRODUYAHDHBLXFS-UHFFFAOYSA-N
XLogP4.38
TPSA63.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide?
The IUPAC name of 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide (CID 71151664) is 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide.
What is the SMILES notation for 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide?
The canonical SMILES for 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide is NC(=O)c1ccccc1OCCCN1CCN(c2cccc3c2ccn3Cc2ccccc2)CC1.
What is the InChIKey of 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide?
The InChIKey is RODUYAHDHBLXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c30-29(34)25-10-4-5-13-28(25)35-21-7-15-31-17-19-32(20-18-31)26-11-6-12-27-24(26)14-16-33(27)22-23-8-2-1-3-9-23/h1-6,8-14,16H,7,15,17-22H2,(H2,30,34).
What are the key properties of 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide?
2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide has a molecular weight of 468.60 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(1-benzylindol-4-yl)piperazin-1-yl]propoxy]benzamide is sourced from PubChem (CID 71151664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).