N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide

C21H24F3N3O2 — CID 42266376

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H24F3N3O2/c1-29-17-8-6-16(7-9-17)27-14-12-26(13-15-27)11-10-25-20(28)18-4-2-3-5-19(18)21(22,23)24/h2-9H,10-15H2,1H3,(H,25,28)
InChIKeyMCXKVTYCKAFYNR-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.27
Rot. Bonds6

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 42266376) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
PubChem CID42266376
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(N2CCN(CCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H24F3N3O2/c1-29-17-8-6-16(7-9-17)27-14-12-26(13-15-27)11-10-25-20(28)18-4-2-3-5-19(18)21(22,23)24/h2-9H,10-15H2,1H3,(H,25,28)
InChIKeyMCXKVTYCKAFYNR-UHFFFAOYSA-N
XLogP3.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]piperazine-1-carboxylate;hydrochloride
CID 71782884
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266374
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[4-[4-[4-bromo-3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-methoxybenzamide
CID 90853118
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 20933690
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-(trifluoromethyl)benzamide
CID 16889920
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 108808081

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide (CID 42266376) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide is COc1ccc(N2CCN(CCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is MCXKVTYCKAFYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-29-17-8-6-16(7-9-17)27-14-12-26(13-15-27)11-10-25-20(28)18-4-2-3-5-19(18)21(22,23)24/h2-9H,10-15H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 407.44 g/mol, XLogP of 3.27, 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-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 42266376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).