2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C21H22FN3O2 — CID 39334214

IUPAC2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccc4ccc(F)cc43)CC2)cc1
InChIInChI=1S/C21H22FN3O2/c1-27-19-6-4-18(5-7-19)23-10-12-24(13-11-23)21(26)15-25-9-8-16-2-3-17(22)14-20(16)25/h2-9,14H,10-13,15H2,1H3
InChIKeyORCYHNYEDMALCJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.14
Rot. Bonds4

About 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 39334214) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID39334214
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cn3ccc4ccc(F)cc43)CC2)cc1
InChIInChI=1S/C21H22FN3O2/c1-27-19-6-4-18(5-7-19)23-10-12-24(13-11-23)21(26)15-25-9-8-16-2-3-17(22)14-20(16)25/h2-9,14H,10-13,15H2,1H3
InChIKeyORCYHNYEDMALCJ-UHFFFAOYSA-N
XLogP3.14
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-(6-fluoroindol-1-yl)acetyl]piperazine-1-carbaldehyde
CID 29129372
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methylquinolin-4-one
CID 100742188
2-(5,6-difluorobenzimidazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 31807297
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
CID 29139436
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
2-[1-(2,4-difluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 42798205
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]azanium
CID 8593616
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 39334214) is 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)Cn3ccc4ccc(F)cc43)CC2)cc1.
What is the InChIKey of 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ORCYHNYEDMALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-27-19-6-4-18(5-7-19)23-10-12-24(13-11-23)21(26)15-25-9-8-16-2-3-17(22)14-20(16)25/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 367.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 39334214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).