N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C23H26FN3O2 — CID 108978231

IUPACN-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1
InChIInChI=1S/C23H26FN3O2/c1-16-3-4-17(2)20(15-16)25-21(28)23(9-10-23)22(29)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h3-8,15H,9-14H2,1-2H3,(H,25,28)
InChIKeyDJZPORXETKCNBT-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.51
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 108978231) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID108978231
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1
InChIInChI=1S/C23H26FN3O2/c1-16-3-4-17(2)20(15-16)25-21(28)23(9-10-23)22(29)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h3-8,15H,9-14H2,1-2H3,(H,25,28)
InChIKeyDJZPORXETKCNBT-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

N-(2,5-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971649
1-N'-(2,5-dimethylphenyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981349
N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978759
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-(2,4-dimethylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978994
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
N-(2-chlorophenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978770
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949502
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 108978231) is N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is Cc1ccc(C)c(NC(=O)C2(C(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is DJZPORXETKCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-16-3-4-17(2)20(15-16)25-21(28)23(9-10-23)22(29)27-13-11-26(12-14-27)19-7-5-18(24)6-8-19/h3-8,15H,9-14H2,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]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 N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108978231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).