N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide

C23H26FN3O2 — CID 108978238

IUPACN-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C23H26FN3O2/c1-2-27(20-6-4-3-5-7-20)22(29)23(12-13-23)21(28)26-16-14-25(15-17-26)19-10-8-18(24)9-11-19/h3-11H,2,12-17H2,1H3
InChIKeyMRTNEIGRYIPGSB-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.31
Rot. Bonds5

About N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide

N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide (PubChem CID 108978238) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
PubChem CID108978238
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1ccccc1
InChIInChI=1S/C23H26FN3O2/c1-2-27(20-6-4-3-5-7-20)22(29)23(12-13-23)21(28)26-16-14-25(15-17-26)19-10-8-18(24)9-11-19/h3-11H,2,12-17H2,1H3
InChIKeyMRTNEIGRYIPGSB-UHFFFAOYSA-N
XLogP3.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108973986
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
N-ethyl-2-oxo-N-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 108518692
N-ethyl-N,4-diphenylpiperazine-1-carboxamide
CID 108989539
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 75768195
N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978231
N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138426
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide (CID 108978238) is N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide is CCN(C(=O)C1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is MRTNEIGRYIPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-2-27(20-6-4-3-5-7-20)22(29)23(12-13-23)21(28)26-16-14-25(15-17-26)19-10-8-18(24)9-11-19/h3-11H,2,12-17H2,1H3.
What are the key properties of N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide?
N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 108978238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).