1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide

C23H28N4O2 — CID 109141275

IUPAC1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC3C(=O)N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-25-12-14-27(15-13-25)19-10-8-17(9-11-19)24-22(28)20-16-21(20)23(29)26(2)18-6-4-3-5-7-18/h3-11,20-21H,12-16H2,1-2H3,(H,24,28)
InChIKeyWCWODOYOTSJLLB-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.68
Rot. Bonds5

About 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide

1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109141275) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109141275
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CC3C(=O)N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N4O2/c1-25-12-14-27(15-13-25)19-10-8-17(9-11-19)24-22(28)20-16-21(20)23(29)26(2)18-6-4-3-5-7-18/h3-11,20-21H,12-16H2,1-2H3,(H,24,28)
InChIKeyWCWODOYOTSJLLB-UHFFFAOYSA-N
XLogP2.68
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
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

1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141218
2-N-(2-methoxyethyl)-1-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109133046
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143981
1-ethyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylurea
CID 108991540
2-[N-(dimethylsulfamoyl)anilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53280050
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108520940
2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139590
N-(4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138442

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109141275) is 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide is CN1CCN(c2ccc(NC(=O)C3CC3C(=O)N(C)c3ccccc3)cc2)CC1.
What is the InChIKey of 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is WCWODOYOTSJLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-25-12-14-27(15-13-25)19-10-8-17(9-11-19)24-22(28)20-16-21(20)23(29)26(2)18-6-4-3-5-7-18/h3-11,20-21H,12-16H2,1-2H3,(H,24,28).
What are the key properties of 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide?
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).