[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone

C23H24FN3O2 — CID 113210788

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
SMILESCOc1ccc2[nH]cc(C3(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c2c1
InChIInChI=1S/C23H24FN3O2/c1-29-16-6-7-20-17(14-16)18(15-25-20)23(8-9-23)22(28)27-12-10-26(11-13-27)21-5-3-2-4-19(21)24/h2-7,14-15,25H,8-13H2,1H3
InChIKeyJLHFLMRVWPJZAM-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.70
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone (PubChem CID 113210788) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
PubChem CID113210788
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
SMILESCOc1ccc2[nH]cc(C3(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c2c1
InChIInChI=1S/C23H24FN3O2/c1-29-16-6-7-20-17(14-16)18(15-25-20)23(8-9-23)22(28)27-12-10-26(11-13-27)21-5-3-2-4-19(21)24/h2-7,14-15,25H,8-13H2,1H3
InChIKeyJLHFLMRVWPJZAM-UHFFFAOYSA-N
XLogP3.70
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113210609
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113210608
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 113210567
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 113210923
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
N-ethyl-1-(5-methoxy-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113210822
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
(2R)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetic acid
CID 29131719
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211732

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone (CID 113210788) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone is COc1ccc2[nH]cc(C3(C(=O)N4CCN(c5ccccc5F)CC4)CC3)c2c1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone?
The InChIKey is JLHFLMRVWPJZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-29-16-6-7-20-17(14-16)18(15-25-20)23(8-9-23)22(28)27-12-10-26(11-13-27)21-5-3-2-4-19(21)24/h2-7,14-15,25H,8-13H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone has a molecular weight of 393.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone is sourced from PubChem (CID 113210788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).