1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

C26H27FN4O3 — CID 41429552

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2ccccc2F)CC1)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C26H27FN4O3/c27-21-8-2-4-10-23(21)28-13-15-30(16-14-28)26(34)25(33)20-17-31(22-9-3-1-7-19(20)22)18-24(32)29-11-5-6-12-29/h1-4,7-10,17H,5-6,11-16,18H2
InChIKeyGGTIPLLNIOJYCY-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.93
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione (PubChem CID 41429552) has the molecular formula C26H27FN4O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
PubChem CID41429552
Molecular FormulaC26H27FN4O3
Molecular Weight462.53 g/mol
Exact Mass462.21
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(c2ccccc2F)CC1)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C26H27FN4O3/c27-21-8-2-4-10-23(21)28-13-15-30(16-14-28)26(34)25(33)20-17-31(22-9-3-1-7-19(20)22)18-24(32)29-11-5-6-12-29/h1-4,7-10,17H,5-6,11-16,18H2
InChIKeyGGTIPLLNIOJYCY-UHFFFAOYSA-N
XLogP2.93
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione (CID 41429552) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione is O=C(C(=O)N1CCN(c2ccccc2F)CC1)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The InChIKey is GGTIPLLNIOJYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O3/c27-21-8-2-4-10-23(21)28-13-15-30(16-14-28)26(34)25(33)20-17-31(22-9-3-1-7-19(20)22)18-24(32)29-11-5-6-12-29/h1-4,7-10,17H,5-6,11-16,18H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione has a molecular weight of 462.53 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione is sourced from PubChem (CID 41429552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).