2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone

C24H27FN2O — CID 160780518

IUPAC2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone
SMILESCCCN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H27FN2O/c1-2-11-27-12-9-18(10-13-27)19-5-8-22-20(15-19)16-23(26-22)24(28)14-17-3-6-21(25)7-4-17/h3-8,15-16,18,26H,2,9-14H2,1H3
InChIKeySAMZFAHPXOPMGW-UHFFFAOYSA-N
MW378.49 g/mol
LogP5.32
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone

2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone (PubChem CID 160780518) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone
PubChem CID160780518
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone
SMILESCCCN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C24H27FN2O/c1-2-11-27-12-9-18(10-13-27)19-5-8-22-20(15-19)16-23(26-22)24(28)14-17-3-6-21(25)7-4-17/h3-8,15-16,18,26H,2,9-14H2,1H3
InChIKeySAMZFAHPXOPMGW-UHFFFAOYSA-N
XLogP5.32
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone 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 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone (CID 160780518) is 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone is CCCN1CCC(c2ccc3[nH]c(C(=O)Cc4ccc(F)cc4)cc3c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
The InChIKey is SAMZFAHPXOPMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-2-11-27-12-9-18(10-13-27)19-5-8-22-20(15-19)16-23(26-22)24(28)14-17-3-6-21(25)7-4-17/h3-8,15-16,18,26H,2,9-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone?
2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone has a molecular weight of 378.49 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[5-(1-propylpiperidin-4-yl)-1H-indol-2-yl]ethanone is sourced from PubChem (CID 160780518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).