[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

C23H24FN3O — CID 113210608

IUPAC[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3(c4c[nH]c5ccc(F)cc45)CC3)CC2)c1
InChIInChI=1S/C23H24FN3O/c1-16-3-2-4-18(13-16)26-9-11-27(12-10-26)22(28)23(7-8-23)20-15-25-21-6-5-17(24)14-19(20)21/h2-6,13-15,25H,7-12H2,1H3
InChIKeyOEUSUXOTWZBMIW-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.00
Rot. Bonds3

About [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone

[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 113210608) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID113210608
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3(c4c[nH]c5ccc(F)cc45)CC3)CC2)c1
InChIInChI=1S/C23H24FN3O/c1-16-3-2-4-18(13-16)26-9-11-27(12-10-26)22(28)23(7-8-23)20-15-25-21-6-5-17(24)14-19(20)21/h2-6,13-15,25H,7-12H2,1H3
InChIKeyOEUSUXOTWZBMIW-UHFFFAOYSA-N
XLogP4.00
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]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
4-[1-(5-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carbaldehyde
CID 113210567
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methanone
CID 113210788
1-(5-fluoro-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 113208063
[1-(5-chloro-1H-indol-3-yl)cyclopropyl]-(4-ethylpiperazin-1-yl)methanone
CID 113210923
N-(3-acetamidophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210681
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
1-(5-methyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278306
N-(2,6-dichlorophenyl)-1-(5-fluoro-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210711
[5-(4-fluorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18282964
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
(4-bromo-1H-pyrrol-2-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 31689017

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 113210608) is [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3(c4c[nH]c5ccc(F)cc45)CC3)CC2)c1.
What is the InChIKey of [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is OEUSUXOTWZBMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-16-3-2-4-18(13-16)26-9-11-27(12-10-26)22(28)23(7-8-23)20-15-25-21-6-5-17(24)14-19(20)21/h2-6,13-15,25H,7-12H2,1H3.
What are the key properties of [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone?
[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 377.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-1H-indol-3-yl)cyclopropyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113210608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).