(4-indol-1-ylphenyl)-piperazin-1-ylmethanone

C19H19N3O — CID 141433311

IUPAC(4-indol-1-ylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-n2ccc3ccccc32)cc1)N1CCNCC1
InChIInChI=1S/C19H19N3O/c23-19(21-13-10-20-11-14-21)16-5-7-17(8-6-16)22-12-9-15-3-1-2-4-18(15)22/h1-9,12,20H,10-11,13-14H2
InChIKeyGSRRIRGSDTUORQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.68
Rot. Bonds2

About (4-indol-1-ylphenyl)-piperazin-1-ylmethanone

(4-indol-1-ylphenyl)-piperazin-1-ylmethanone (PubChem CID 141433311) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (4-indol-1-ylphenyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-indol-1-ylphenyl)-piperazin-1-ylmethanone
PubChem CID141433311
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(4-indol-1-ylphenyl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-n2ccc3ccccc32)cc1)N1CCNCC1
InChIInChI=1S/C19H19N3O/c23-19(21-13-10-20-11-14-21)16-5-7-17(8-6-16)22-12-9-15-3-1-2-4-18(15)22/h1-9,12,20H,10-11,13-14H2
InChIKeyGSRRIRGSDTUORQ-UHFFFAOYSA-N
XLogP2.68
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-indol-1-ylphenyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-indol-1-ylphenyl)-piperazin-1-ylmethanone (CID 141433311) is (4-indol-1-ylphenyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-indol-1-ylphenyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-indol-1-ylphenyl)-piperazin-1-ylmethanone is O=C(c1ccc(-n2ccc3ccccc32)cc1)N1CCNCC1.
What is the InChIKey of (4-indol-1-ylphenyl)-piperazin-1-ylmethanone?
The InChIKey is GSRRIRGSDTUORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(21-13-10-20-11-14-21)16-5-7-17(8-6-16)22-12-9-15-3-1-2-4-18(15)22/h1-9,12,20H,10-11,13-14H2.
What are the key properties of (4-indol-1-ylphenyl)-piperazin-1-ylmethanone?
(4-indol-1-ylphenyl)-piperazin-1-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-indol-1-ylphenyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 141433311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).