N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide

C26H28FN3O3 — CID 20925892

IUPACN-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12)C1CCCCC1
InChIInChI=1S/C26H28FN3O3/c27-19-10-12-20(13-11-19)29-14-16-30(17-15-29)26(32)24-23(21-8-4-5-9-22(21)33-24)28-25(31)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,28,31)
InChIKeyKYBMYDFPCICVOD-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.05
Rot. Bonds4

About N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide

N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide (PubChem CID 20925892) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
PubChem CID20925892
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12)C1CCCCC1
InChIInChI=1S/C26H28FN3O3/c27-19-10-12-20(13-11-19)29-14-16-30(17-15-29)26(32)24-23(21-8-4-5-9-22(21)33-24)28-25(31)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,28,31)
InChIKeyKYBMYDFPCICVOD-UHFFFAOYSA-N
XLogP5.05
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
CID 20925750
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925721
3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925795
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 22510987
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925897
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 648152
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24501964

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide (CID 20925892) is N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide is O=C(Nc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)oc2ccccc12)C1CCCCC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
The InChIKey is KYBMYDFPCICVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c27-19-10-12-20(13-11-19)29-14-16-30(17-15-29)26(32)24-23(21-8-4-5-9-22(21)33-24)28-25(31)18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,14-17H2,(H,28,31).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide?
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide has a molecular weight of 449.53 g/mol, XLogP of 5.05, 4 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)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 20925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).