6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide

C24H25F3N4O2 — CID 44761699

IUPAC6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC=CCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25F3N4O2/c25-24(26,27)17-6-5-7-18(16-17)29-22(32)19-8-1-2-9-20(19)23(33)31-14-12-30(13-15-31)21-10-3-4-11-28-21/h1-7,10-11,16,19-20H,8-9,12-15H2,(H,29,32)
InChIKeyICOKZZSZYAYICK-UHFFFAOYSA-N
MW458.48 g/mol
LogP3.97
Rot. Bonds4

About 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide

6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 44761699) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID44761699
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC=CCC1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25F3N4O2/c25-24(26,27)17-6-5-7-18(16-17)29-22(32)19-8-1-2-9-20(19)23(33)31-14-12-30(13-15-31)21-10-3-4-11-28-21/h1-7,10-11,16,19-20H,8-9,12-15H2,(H,29,32)
InChIKeyICOKZZSZYAYICK-UHFFFAOYSA-N
XLogP3.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
C-1368
CID 9549303
Gnf6231
CID 46927297
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 11004075
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
[1-[(2-Amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-[4-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)piperidin-1-yl]methanone
CID 44622342
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
N-(5-(3-Fluoro-4-((2-((4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)amino)phenyl)pyridin-2-yl)cyclopropanecarboxamide
CID 73438493
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]piperidin-1-yl]ethanone
CID 90067588
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-[5-(Trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 2821933
Phenylcarbonyl piperazine, 3
CID 2741589

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 44761699) is 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CC=CCC1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ICOKZZSZYAYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c25-24(26,27)17-6-5-7-18(16-17)29-22(32)19-8-1-2-9-20(19)23(33)31-14-12-30(13-15-31)21-10-3-4-11-28-21/h1-7,10-11,16,19-20H,8-9,12-15H2,(H,29,32).
What are the key properties of 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 44761699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).