N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

C23H30FN3O2 — CID 16809851

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C23H30FN3O2/c24-19-8-10-20(11-9-19)26-12-14-27(15-13-26)21(22-7-4-16-29-22)17-25-23(28)18-5-2-1-3-6-18/h4,7-11,16,18,21H,1-3,5-6,12-15,17H2,(H,25,28)
InChIKeyPLELKXNURJWMQL-UHFFFAOYSA-N
MW399.51 g/mol
LogP3.98
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 16809851) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID16809851
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
InChIInChI=1S/C23H30FN3O2/c24-19-8-10-20(11-9-19)26-12-14-27(15-13-26)21(22-7-4-16-29-22)17-25-23(28)18-5-2-1-3-6-18/h4,7-11,16,18,21H,1-3,5-6,12-15,17H2,(H,25,28)
InChIKeyPLELKXNURJWMQL-UHFFFAOYSA-N
XLogP3.98
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide (CID 16809851) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is O=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is PLELKXNURJWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O2/c24-19-8-10-20(11-9-19)26-12-14-27(15-13-26)21(22-7-4-16-29-22)17-25-23(28)18-5-2-1-3-6-18/h4,7-11,16,18,21H,1-3,5-6,12-15,17H2,(H,25,28).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 399.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 16809851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).