4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide

C22H25FN4O2 — CID 16813078

IUPAC4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C22H25FN4O2/c1-29-15-14-27-16-20(19-4-2-3-5-21(19)27)24-22(28)26-12-10-25(11-13-26)18-8-6-17(23)7-9-18/h2-9,16H,10-15H2,1H3,(H,24,28)
InChIKeyADXUIWTZQJOVOM-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.78
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide (PubChem CID 16813078) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
PubChem CID16813078
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
SMILESCOCCn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C22H25FN4O2/c1-29-15-14-27-16-20(19-4-2-3-5-21(19)27)24-22(28)26-12-10-25(11-13-26)18-8-6-17(23)7-9-18/h2-9,16H,10-15H2,1H3,(H,24,28)
InChIKeyADXUIWTZQJOVOM-UHFFFAOYSA-N
XLogP3.78
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide 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-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide (CID 16813078) is 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide is COCCn1cc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
The InChIKey is ADXUIWTZQJOVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-29-15-14-27-16-20(19-4-2-3-5-21(19)27)24-22(28)26-12-10-25(11-13-26)18-8-6-17(23)7-9-18/h2-9,16H,10-15H2,1H3,(H,24,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 16813078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).