(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone

C27H26FN3O — CID 41473821

IUPAC(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H26FN3O/c1-19-25(23-9-5-6-10-24(23)29-19)27(32)26(20-7-3-2-4-8-20)31-17-15-30(16-18-31)22-13-11-21(28)12-14-22/h2-14,26,29H,15-18H2,1H3/t26-/m0/s1
InChIKeyDYBPQEIEBDTVKP-SANMLTNESA-N
MW427.52 g/mol
LogP5.36
Rot. Bonds5

About (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone (PubChem CID 41473821) has the molecular formula C27H26FN3O and a molecular weight of 427.52 g/mol. Its IUPAC name is (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
PubChem CID41473821
Molecular FormulaC27H26FN3O
Molecular Weight427.52 g/mol
Exact Mass427.21
IUPAC Name(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H26FN3O/c1-19-25(23-9-5-6-10-24(23)29-19)27(32)26(20-7-3-2-4-8-20)31-17-15-30(16-18-31)22-13-11-21(28)12-14-22/h2-14,26,29H,15-18H2,1H3/t26-/m0/s1
InChIKeyDYBPQEIEBDTVKP-SANMLTNESA-N
XLogP5.36
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 17079114
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 42535984
(2R)-1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 8688287
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8587205
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 18082753
1-(2-methyl-1H-indol-3-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 18086318
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
1-(2-methyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 4916613
1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4271918
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8592237
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
The IUPAC name of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone (CID 41473821) is (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone.
What is the SMILES notation for (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
The canonical SMILES for (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone is Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
The InChIKey is DYBPQEIEBDTVKP-SANMLTNESA-N. The full InChI is InChI=1S/C27H26FN3O/c1-19-25(23-9-5-6-10-24(23)29-19)27(32)26(20-7-3-2-4-8-20)31-17-15-30(16-18-31)22-13-11-21(28)12-14-22/h2-14,26,29H,15-18H2,1H3/t26-/m0/s1.
What are the key properties of (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone?
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone has a molecular weight of 427.52 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone is sourced from PubChem (CID 41473821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).