1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione

C19H19N3O2 — CID 600259

IUPAC1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C19H19N3O2/c23-18-16-8-4-5-9-17(16)22(19(18)24)14-20-10-12-21(13-11-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyPXUXTGVNHPHAHZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.00
Rot. Bonds3

About 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione

1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione (PubChem CID 600259) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
PubChem CID600259
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C19H19N3O2/c23-18-16-8-4-5-9-17(16)22(19(18)24)14-20-10-12-21(13-11-20)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyPXUXTGVNHPHAHZ-UHFFFAOYSA-N
XLogP2.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
The IUPAC name of 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione (CID 600259) is 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
The canonical SMILES for 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCN(c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
The InChIKey is PXUXTGVNHPHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-16-8-4-5-9-17(16)22(19(18)24)14-20-10-12-21(13-11-20)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione?
1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione has a molecular weight of 321.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 600259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).