N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide

C23H26F3N3O2 — CID 42767036

IUPACN-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCCCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C23H26F3N3O2/c1-2-3-7-21(30)29-14-12-28(13-15-29)20-10-8-19(9-11-20)27-22(31)17-5-4-6-18(16-17)23(24,25)26/h4-6,8-11,16H,2-3,7,12-15H2,1H3,(H,27,31)
InChIKeyHUJPVBVHVCPIHM-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.80
Rot. Bonds6

About N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 42767036) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID42767036
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCCCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1
InChIInChI=1S/C23H26F3N3O2/c1-2-3-7-21(30)29-14-12-28(13-15-29)20-10-8-19(9-11-20)27-22(31)17-5-4-6-18(16-17)23(24,25)26/h4-6,8-11,16H,2-3,7,12-15H2,1H3,(H,27,31)
InChIKeyHUJPVBVHVCPIHM-UHFFFAOYSA-N
XLogP4.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 5202294
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 3738760
3-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzamide
CID 42767064
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 2956194
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42850057
4-hexyl-N-[4-(4-pentanoylpiperazin-1-yl)phenyl]benzamide
CID 3666746
4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 4038929
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 78780067
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 3712243
3-bromo-N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 42663751

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 42767036) is N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide is CCCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HUJPVBVHVCPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-2-3-7-21(30)29-14-12-28(13-15-29)20-10-8-19(9-11-20)27-22(31)17-5-4-6-18(16-17)23(24,25)26/h4-6,8-11,16H,2-3,7,12-15H2,1H3,(H,27,31).
What are the key properties of N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 433.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pentanoylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42767036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).