1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide

C23H26FN3O2 — CID 108978820

IUPAC1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)Nc4cccc(F)c4)CC3)CC2)c1C
InChIInChI=1S/C23H26FN3O2/c1-16-5-3-8-20(17(16)2)26-11-13-27(14-12-26)22(29)23(9-10-23)21(28)25-19-7-4-6-18(24)15-19/h3-8,15H,9-14H2,1-2H3,(H,25,28)
InChIKeyDBSXQOVWPMNUMY-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.51
Rot. Bonds4

About 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide

1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 108978820) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID108978820
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)Nc4cccc(F)c4)CC3)CC2)c1C
InChIInChI=1S/C23H26FN3O2/c1-16-5-3-8-20(17(16)2)26-11-13-27(14-12-26)22(29)23(9-10-23)21(28)25-19-7-4-6-18(24)15-19/h3-8,15H,9-14H2,1-2H3,(H,25,28)
InChIKeyDBSXQOVWPMNUMY-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970254
azepan-1-yl-[1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 108978812
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978811
1-(4-acetylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108974517
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
CID 110436569
N-(3-chlorophenyl)-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978188
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965460
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-N'-(5-chloro-2-methylphenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982710
N-(3-acetylphenyl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950596

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 108978820) is 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3(C(=O)Nc4cccc(F)c4)CC3)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is DBSXQOVWPMNUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-5-3-8-20(17(16)2)26-11-13-27(14-12-26)22(29)23(9-10-23)21(28)25-19-7-4-6-18(24)15-19/h3-8,15H,9-14H2,1-2H3,(H,25,28).
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).