cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone

C22H23FN4O — CID 134471425

IUPACcyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone
SMILES[H]/N=C(/c1ccccc1/C(=N/[H])c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H23FN4O/c23-17-5-3-4-16(14-17)20(24)18-6-1-2-7-19(18)21(25)26-10-12-27(13-11-26)22(28)15-8-9-15/h1-7,14-15,24-25H,8-13H2/b24-20+,25-21-
InChIKeyHBEAVECGZIGFPP-AIMKKSDKSA-N
MW378.45 g/mol
LogP3.12
Rot. Bonds4

About cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone

cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone (PubChem CID 134471425) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone
PubChem CID134471425
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Namecyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone
SMILES[H]/N=C(/c1ccccc1/C(=N/[H])c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C22H23FN4O/c23-17-5-3-4-16(14-17)20(24)18-6-1-2-7-19(18)21(25)26-10-12-27(13-11-26)22(28)15-8-9-15/h1-7,14-15,24-25H,8-13H2/b24-20+,25-21-
InChIKeyHBEAVECGZIGFPP-AIMKKSDKSA-N
XLogP3.12
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
CID 113005055
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
[4-(3-fluorobenzenecarboximidoyl)-3-methylphenyl]-[4-[1-[N-[(3-fluorophenyl)methyl]-2-methylanilino]ethenyl]piperidin-1-yl]methanone
CID 177143249
cyclohexyl-[4-(3-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]methanone
CID 42773585
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone (CID 134471425) is cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone is [H]/N=C(/c1ccccc1/C(=N/[H])c1cccc(F)c1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone?
The InChIKey is HBEAVECGZIGFPP-AIMKKSDKSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-17-5-3-4-16(14-17)20(24)18-6-1-2-7-19(18)21(25)26-10-12-27(13-11-26)22(28)15-8-9-15/h1-7,14-15,24-25H,8-13H2/b24-20+,25-21-.
What are the key properties of cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[2-(3-fluorobenzenecarboximidoyl)benzenecarboximidoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134471425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).