3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide

C20H20F3N3O2 — CID 86993504

IUPAC3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)17-6-2-5-16(12-17)19(28)26-9-7-25(8-10-26)13-14-3-1-4-15(11-14)18(24)27/h1-6,11-12H,7-10,13H2,(H2,24,27)
InChIKeyMPDQJTHKWASVEP-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.76
Rot. Bonds4

About 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide

3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide (PubChem CID 86993504) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
PubChem CID86993504
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)17-6-2-5-16(12-17)19(28)26-9-7-25(8-10-26)13-14-3-1-4-15(11-14)18(24)27/h1-6,11-12H,7-10,13H2,(H2,24,27)
InChIKeyMPDQJTHKWASVEP-UHFFFAOYSA-N
XLogP2.76
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329650
2,3-dihydro-1H-inden-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021240
[3-[(4-ethylphenoxy)methyl]phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329553
[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329594
(3,5-dimethoxyphenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 4776915
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
4-[[3-[3-(trifluoromethyl)phenoxy]phenyl]methyl]piperazine-1-carboxamide
CID 154014977
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 120902661
[3,5-bis(trifluoromethyl)phenyl]-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 60590912
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19478987

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide (CID 86993504) is 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide is NC(=O)c1cccc(CN2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide?
The InChIKey is MPDQJTHKWASVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)17-6-2-5-16(12-17)19(28)26-9-7-25(8-10-26)13-14-3-1-4-15(11-14)18(24)27/h1-6,11-12H,7-10,13H2,(H2,24,27).
What are the key properties of 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide?
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide has a molecular weight of 391.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 86993504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).