N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide

C24H20F4N4O2 — CID 46041909

IUPACN-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F4N4O2/c25-19-3-1-2-17(14-19)23(34)32-12-10-31(11-13-32)21-9-8-20(15-29-21)30-22(33)16-4-6-18(7-5-16)24(26,27)28/h1-9,14-15H,10-13H2,(H,30,33)
InChIKeyOZRROQYTYKJLAE-UHFFFAOYSA-N
MW472.44 g/mol
LogP4.45
Rot. Bonds4

About N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide

N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide (PubChem CID 46041909) has the molecular formula C24H20F4N4O2 and a molecular weight of 472.44 g/mol. Its IUPAC name is N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
PubChem CID46041909
Molecular FormulaC24H20F4N4O2
Molecular Weight472.44 g/mol
Exact Mass472.15
IUPAC NameN-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H20F4N4O2/c25-19-3-1-2-17(14-19)23(34)32-12-10-31(11-13-32)21-9-8-20(15-29-21)30-22(33)16-4-6-18(7-5-16)24(26,27)28/h1-9,14-15H,10-13H2,(H,30,33)
InChIKeyOZRROQYTYKJLAE-UHFFFAOYSA-N
XLogP4.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46157099
N-[6-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42856885
1-[6-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46053555
N-[6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-tert-butylbenzamide
CID 42856918
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42850057
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
1-(2-chlorophenyl)-3-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053467
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide (CID 46041909) is N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
The InChIKey is OZRROQYTYKJLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O2/c25-19-3-1-2-17(14-19)23(34)32-12-10-31(11-13-32)21-9-8-20(15-29-21)30-22(33)16-4-6-18(7-5-16)24(26,27)28/h1-9,14-15H,10-13H2,(H,30,33).
What are the key properties of N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide?
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide has a molecular weight of 472.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 46041909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).