(2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone

C26H25N3O — CID 46912134

IUPAC(2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCNCC1
InChIInChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2
InChIKeyFYDPGAJRQXSCCK-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.27
Rot. Bonds4

About (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone

(2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone (PubChem CID 46912134) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone
PubChem CID46912134
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name(2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone
SMILESO=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCNCC1
InChIInChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2
InChIKeyFYDPGAJRQXSCCK-UHFFFAOYSA-N
XLogP4.27
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone (CID 46912134) is (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone is O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCNCC1.
What is the InChIKey of (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is FYDPGAJRQXSCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2.
What are the key properties of (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone?
(2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 395.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1-phenylindol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 46912134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).