N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide

C16H20F3N3O2 — CID 120573186

IUPACN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC1NCCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C16H20F3N3O2/c1-10-11(2)22(8-7-20-10)14(23)9-21-15(24)12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,20H,7-9H2,1-2H3,(H,21,24)
InChIKeyJUPNEFAKHKZDNQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.64
Rot. Bonds3

About N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 120573186) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID120573186
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC1NCCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C1C
InChIInChI=1S/C16H20F3N3O2/c1-10-11(2)22(8-7-20-10)14(23)9-21-15(24)12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,20H,7-9H2,1-2H3,(H,21,24)
InChIKeyJUPNEFAKHKZDNQ-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120571561
3-bromo-N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 120572721
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120572220
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
(2,3-dimethylpiperazin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120573034
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 120571482
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120569847
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880537
2-(cyclopropylmethylamino)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 122081276

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 120573186) is N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide is CC1NCCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C1C.
What is the InChIKey of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JUPNEFAKHKZDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-10-11(2)22(8-7-20-10)14(23)9-21-15(24)12-3-5-13(6-4-12)16(17,18)19/h3-6,10-11,20H,7-9H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 120573186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).