[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

C26H23N3O2 — CID 3676358

IUPAC[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
InChIKeyAPHXKHUFVKITGC-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.43
Rot. Bonds3

About [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 3676358) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID3676358
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
InChIKeyAPHXKHUFVKITGC-UHFFFAOYSA-N
XLogP4.43
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 3676358) is [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is APHXKHUFVKITGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2.
What are the key properties of [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 409.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 3676358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).