N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

C15H20F3N3O — CID 69170249

IUPACN-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCN(CNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-20-6-8-21(9-7-20)11-19-14(22)12-4-3-5-13(10-12)15(16,17)18/h3-5,10H,2,6-9,11H2,1H3,(H,19,22)
InChIKeyNSZFYSYPLOHWIK-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.03
Rot. Bonds4

About N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 69170249) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID69170249
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC NameN-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCCN1CCN(CNC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3N3O/c1-2-20-6-8-21(9-7-20)11-19-14(22)12-4-3-5-13(10-12)15(16,17)18/h3-5,10H,2,6-9,11H2,1H3,(H,19,22)
InChIKeyNSZFYSYPLOHWIK-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-[4-(4-ethylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 46113857
N-(2-bromo-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(trifluoromethyl)benzamide
CID 114758864
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 20933691
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]-3-(trifluoromethyl)benzamide
CID 24979965

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide (CID 69170249) is N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide is CCN1CCN(CNC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NSZFYSYPLOHWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-2-20-6-8-21(9-7-20)11-19-14(22)12-4-3-5-13(10-12)15(16,17)18/h3-5,10H,2,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide?
N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 315.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69170249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).