N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide

C16H21F3N4O2 — CID 119446542

IUPACN-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1C(F)(F)F)NCCN1CCNCC1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-4-2-1-3-12(13)15(25)22-11-14(24)21-7-10-23-8-5-20-6-9-23/h1-4,20H,5-11H2,(H,21,24)(H,22,25)
InChIKeyLENUMRXYJJSMMZ-UHFFFAOYSA-N
MW358.36 g/mol
LogP0.46
Rot. Bonds6

About N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide

N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 119446542) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID119446542
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC NameN-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(CNC(=O)c1ccccc1C(F)(F)F)NCCN1CCNCC1
InChIInChI=1S/C16H21F3N4O2/c17-16(18,19)13-4-2-1-3-12(13)15(25)22-11-14(24)21-7-10-23-8-5-20-6-9-23/h1-4,20H,5-11H2,(H,21,24)(H,22,25)
InChIKeyLENUMRXYJJSMMZ-UHFFFAOYSA-N
XLogP0.46
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)pyridine-4-carboxamide
CID 138001583
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 119415885
methyl 4-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]piperazine-1-carboxylate;hydrochloride
CID 71782884
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 43600344
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
2-(2,2-dimethylpropanoylamino)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448601
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)benzamide
CID 42266376
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
N-(2-oxopropyl)-2-(trifluoromethyl)benzamide
CID 64997392

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide (CID 119446542) is N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide is O=C(CNC(=O)c1ccccc1C(F)(F)F)NCCN1CCNCC1.
What is the InChIKey of N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is LENUMRXYJJSMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c17-16(18,19)13-4-2-1-3-12(13)15(25)22-11-14(24)21-7-10-23-8-5-20-6-9-23/h1-4,20H,5-11H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 358.36 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 119446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).