2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

C16H22F3N3O2 — CID 154844942

IUPAC2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESCN1CCN(c2ccccc2C(=O)NCCOCC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-21-7-9-22(10-8-21)14-5-3-2-4-13(14)15(23)20-6-11-24-12-16(17,18)19/h2-5H,6-12H2,1H3,(H,20,23)
InChIKeyIQSYLAYKHOKACT-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (PubChem CID 154844942) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
PubChem CID154844942
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESCN1CCN(c2ccccc2C(=O)NCCOCC(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c1-21-7-9-22(10-8-21)14-5-3-2-4-13(14)15(23)20-6-11-24-12-16(17,18)19/h2-5H,6-12H2,1H3,(H,20,23)
InChIKeyIQSYLAYKHOKACT-UHFFFAOYSA-N
XLogP1.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
N-[2-(1,2-benzothiazol-3-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
CID 167821763
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
2,5-dimethyl-1-(1-phenylethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole-3-carboxamide
CID 78852684
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 56787711
2-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 174711988
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 86921725
N-[2-(4-methylpiperazin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51111953

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (CID 154844942) is 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is CN1CCN(c2ccccc2C(=O)NCCOCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The InChIKey is IQSYLAYKHOKACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-21-7-9-22(10-8-21)14-5-3-2-4-13(14)15(23)20-6-11-24-12-16(17,18)19/h2-5H,6-12H2,1H3,(H,20,23).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide has a molecular weight of 345.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 154844942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).