4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide

C98H139F15N14O7 — CID 158392558

IUPAC4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)C(=O)CCCN1CCOCC1.CC(C)C(=O)Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CCN1CCN(Cc2ccc(C(=O)NC(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)C(C)C)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(C(=O)NC(C)C)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H27F3N2O.C18H26F3N3O.C18H25F3N2O.C17H24F3N3O.C15H16F3N3O.C11H21NO2/c1-4-23-7-9-24(10-8-23)13-16-6-5-15(12-18(25)14(2)3)11-17(16)19(20,21)22;1-4-23-7-9-24(10-8-23)12-15-6-5-14(17(25)22-13(2)3)11-16(15)18(19,20)21;1-13(2)17(24)11-14-4-5-15(16(10-14)18(19,20)21)12-23-8-6-22(3)7-9-23;1-12(2)21-16(24)13-4-5-14(15(10-13)17(18,19)20)11-23-8-6-22(3)7-9-23;1-9(2)20-14(22)11-4-12(15(16,17)18)6-13(5-11)21-7-10(3)19-8-21;1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h5-6,11,14H,4,7-10,12-13H2,1-3H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,13H,6-9,11-12H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);4-9H,1-3H3,(H,20,22);10H,3-9H2,1-2H3
InChIKeyGXDJMBANSWHAID-UHFFFAOYSA-N
MW1910.25 g/mol
LogP17.06
Rot. Bonds28

About 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide

4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 158392558) has the molecular formula C98H139F15N14O7 and a molecular weight of 1910.25 g/mol. Its IUPAC name is 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide
PubChem CID158392558
Molecular FormulaC98H139F15N14O7
Molecular Weight1910.25 g/mol
Exact Mass1909.07
IUPAC Name4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide
SMILESCC(C)C(=O)CCCN1CCOCC1.CC(C)C(=O)Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CCN1CCN(Cc2ccc(C(=O)NC(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)C(C)C)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(C(=O)NC(C)C)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H27F3N2O.C18H26F3N3O.C18H25F3N2O.C17H24F3N3O.C15H16F3N3O.C11H21NO2/c1-4-23-7-9-24(10-8-23)13-16-6-5-15(12-18(25)14(2)3)11-17(16)19(20,21)22;1-4-23-7-9-24(10-8-23)12-15-6-5-14(17(25)22-13(2)3)11-16(15)18(19,20)21;1-13(2)17(24)11-14-4-5-15(16(10-14)18(19,20)21)12-23-8-6-22(3)7-9-23;1-12(2)21-16(24)13-4-5-14(15(10-13)17(18,19)20)11-23-8-6-22(3)7-9-23;1-9(2)20-14(22)11-4-12(15(16,17)18)6-13(5-11)21-7-10(3)19-8-21;1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h5-6,11,14H,4,7-10,12-13H2,1-3H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,13H,6-9,11-12H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);4-9H,1-3H3,(H,20,22);10H,3-9H2,1-2H3
InChIKeyGXDJMBANSWHAID-UHFFFAOYSA-N
XLogP17.06
TPSA194.72 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.25
LogP ≤ 517.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)benzamide
CID 117609869
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-imidazol-1-yl-5-(trifluoromethyl)benzamide
CID 24953827
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 58973149
Methyl 2-[[2-phenyl-2-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-1-yl]acetyl]amino]-3-(1-tritylimidazol-4-yl)propanoate
CID 59127919
Methyl 2-[[2-phenyl-2-[1-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidin-4-yl]acetyl]amino]-3-(1-tritylimidazol-4-yl)propanoate
CID 59127982
N-[3-[7-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]-4-methylphenyl]-3-(fluoromethyl)-5-imidazol-1-ylbenzamide
CID 68026178
2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]acetamide
CID 68622273
N-[4-[(4-ethylpiperazin-1-yl)methyl]-2,3,6-trifluoro-5-methylphenyl]-4-methyl-3-[[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
CID 89049145
3-[1-[2-[4-[(3-ethylphenyl)carbamoyl]-2-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)phenyl]ethyl]-5-morpholin-4-yl-6-oxopyridin-3-yl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 130425761
2-(1,1-difluoroethyl)-N-[3-[2-ethoxy-6-[2-[[methyl-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]morpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425772
N-[6-methyl-5-[6-morpholin-4-yl-2-[4-[3-[3-(6-morpholin-4-yl-2-piperazin-1-ylpyrimidin-4-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-2-yl]propyl]piperazin-1-yl]pyrimidin-4-yl]pyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425798
[5-[[7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2-methylphenyl]-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 142786354

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide (CID 158392558) is 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide is CC(C)C(=O)CCCN1CCOCC1.CC(C)C(=O)Cc1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccc(CN2CCN(C)CC2)c(C(F)(F)F)c1.CCN1CCN(Cc2ccc(C(=O)NC(C)C)cc2C(F)(F)F)CC1.CCN1CCN(Cc2ccc(CC(=O)C(C)C)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(C(=O)NC(C)C)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is GXDJMBANSWHAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O.C18H26F3N3O.C18H25F3N2O.C17H24F3N3O.C15H16F3N3O.C11H21NO2/c1-4-23-7-9-24(10-8-23)13-16-6-5-15(12-18(25)14(2)3)11-17(16)19(20,21)22;1-4-23-7-9-24(10-8-23)12-15-6-5-14(17(25)22-13(2)3)11-16(15)18(19,20)21;1-13(2)17(24)11-14-4-5-15(16(10-14)18(19,20)21)12-23-8-6-22(3)7-9-23;1-12(2)21-16(24)13-4-5-14(15(10-13)17(18,19)20)11-23-8-6-22(3)7-9-23;1-9(2)20-14(22)11-4-12(15(16,17)18)6-13(5-11)21-7-10(3)19-8-21;1-10(2)11(13)4-3-5-12-6-8-14-9-7-12/h5-6,11,14H,4,7-10,12-13H2,1-3H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,13H,6-9,11-12H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);4-9H,1-3H3,(H,20,22);10H,3-9H2,1-2H3.
What are the key properties of 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide?
4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 1910.25 g/mol, XLogP of 17.06, 28 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-methylbutan-2-one;3-(4-methylimidazol-1-yl)-N-propan-2-yl-5-(trifluoromethyl)benzamide;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]butan-2-one;2-methyl-6-morpholin-4-ylhexan-3-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 158392558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).