1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine

C101H142F7N13O6 — CID 158191570

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccncc1.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)CC1.Cc1cc(C(=O)NC(C)C)cc(-n2cnc(C)c2)c1.Cc1ccc(F)c(C(=O)NC(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1
InChIInChI=1S/C19H30N2O.C18H26F3N3O.C17H24F3N3O.C15H19N3O.C12H16O.C11H14FNO.C9H13N/c1-5-20-8-10-21(11-9-20)14-18-7-6-17(12-16(18)4)13-19(22)15(2)3;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;1-12(2)21-16(24)13-4-5-14(15(10-13)17(18,19)20)11-23-8-6-22(3)7-9-23;1-10(2)17-15(19)13-5-11(3)6-14(7-13)18-8-12(4)16-9-18;1-9(2)12(13)8-11-6-4-5-10(3)7-11;1-7(2)13-11(14)9-6-8(3)4-5-10(9)12;1-8(2)7-9-3-5-10-6-4-9/h6-7,12,15H,5,8-11,13-14H2,1-4H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);5-10H,1-4H3,(H,17,19);4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H,13,14);3-6,8H,7H2,1-2H3
InChIKeyFZUXTAXQTIKJFV-UHFFFAOYSA-N
MW1767.32 g/mol
LogP18.41
Rot. Bonds25

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine

1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine (PubChem CID 158191570) has the molecular formula C101H142F7N13O6 and a molecular weight of 1767.32 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine
PubChem CID158191570
Molecular FormulaC101H142F7N13O6
Molecular Weight1767.32 g/mol
Exact Mass1766.11
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine
SMILESCC(C)Cc1ccncc1.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)CC1.Cc1cc(C(=O)NC(C)C)cc(-n2cnc(C)c2)c1.Cc1ccc(F)c(C(=O)NC(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1
InChIInChI=1S/C19H30N2O.C18H26F3N3O.C17H24F3N3O.C15H19N3O.C12H16O.C11H14FNO.C9H13N/c1-5-20-8-10-21(11-9-20)14-18-7-6-17(12-16(18)4)13-19(22)15(2)3;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;1-12(2)21-16(24)13-4-5-14(15(10-13)17(18,19)20)11-23-8-6-22(3)7-9-23;1-10(2)17-15(19)13-5-11(3)6-14(7-13)18-8-12(4)16-9-18;1-9(2)12(13)8-11-6-4-5-10(3)7-11;1-7(2)13-11(14)9-6-8(3)4-5-10(9)12;1-8(2)7-9-3-5-10-6-4-9/h6-7,12,15H,5,8-11,13-14H2,1-4H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);5-10H,1-4H3,(H,17,19);4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H,13,14);3-6,8H,7H2,1-2H3
InChIKeyFZUXTAXQTIKJFV-UHFFFAOYSA-N
XLogP18.41
TPSA200.69 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001767.32
LogP ≤ 518.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine (CID 158191570) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine is CC(C)Cc1ccncc1.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)CC1.Cc1cc(C(=O)NC(C)C)cc(-n2cnc(C)c2)c1.Cc1ccc(F)c(C(=O)NC(C)C)c1.Cc1cccc(CC(=O)C(C)C)c1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine?
The InChIKey is FZUXTAXQTIKJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.C18H26F3N3O.C17H24F3N3O.C15H19N3O.C12H16O.C11H14FNO.C9H13N/c1-5-20-8-10-21(11-9-20)14-18-7-6-17(12-16(18)4)13-19(22)15(2)3;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;1-12(2)21-16(24)13-4-5-14(15(10-13)17(18,19)20)11-23-8-6-22(3)7-9-23;1-10(2)17-15(19)13-5-11(3)6-14(7-13)18-8-12(4)16-9-18;1-9(2)12(13)8-11-6-4-5-10(3)7-11;1-7(2)13-11(14)9-6-8(3)4-5-10(9)12;1-8(2)7-9-3-5-10-6-4-9/h6-7,12,15H,5,8-11,13-14H2,1-4H3;5-6,11,13H,4,7-10,12H2,1-3H3,(H,22,25);4-5,10,12H,6-9,11H2,1-3H3,(H,21,24);5-10H,1-4H3,(H,17,19);4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H,13,14);3-6,8H,7H2,1-2H3.
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine?
1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine has a molecular weight of 1767.32 g/mol, XLogP of 18.41, 25 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-methylphenyl]-3-methylbutan-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;2-fluoro-5-methyl-N-propan-2-ylbenzamide;3-methyl-5-(4-methylimidazol-1-yl)-N-propan-2-ylbenzamide;3-methyl-1-(3-methylphenyl)butan-2-one;4-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-yl-3-(trifluoromethyl)benzamide;4-(2-methylpropyl)pyridine is sourced from PubChem (CID 158191570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).