1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide

C22H25FN4O2 — CID 109142764

IUPAC1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC3C(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H25FN4O2/c1-26-10-12-27(13-11-26)18-8-6-17(7-9-18)25-22(29)20-14-19(20)21(28)24-16-4-2-15(23)3-5-16/h2-9,19-20H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyMBXRMLUXUPVNRE-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.79
Rot. Bonds5

About 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109142764) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109142764
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC3C(=O)Nc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H25FN4O2/c1-26-10-12-27(13-11-26)18-8-6-17(7-9-18)25-22(29)20-14-19(20)21(28)24-16-4-2-15(23)3-5-16/h2-9,19-20H,10-14H2,1H3,(H,24,28)(H,25,29)
InChIKeyMBXRMLUXUPVNRE-UHFFFAOYSA-N
XLogP2.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109133046
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141275
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
N-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190069
2-(4-fluorophenyl)-N-[4-(4-hydroxypiperidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 71941507
1-[2-(4-fluorophenyl)ethyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108902143
N-[2-(4-fluorophenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108948472
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
CID 108964923
2-[2-(4-fluorophenyl)-5-oxocyclopenten-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 155987745
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
N-[4-(4-methylpiperazin-1-yl)phenyl]thiolane-3-carboxamide
CID 110862464

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109142764) is 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is CN1CCN(c2ccc(NC(=O)C3CC3C(=O)Nc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is MBXRMLUXUPVNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-26-10-12-27(13-11-26)18-8-6-17(7-9-18)25-22(29)20-14-19(20)21(28)24-16-4-2-15(23)3-5-16/h2-9,19-20H,10-14H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).