1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

C103H105F16N15O4S — CID 157164537

IUPAC1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCc1ccc(CN2CCC(N(Cc3ccccc3)C(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC2)s1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ccccn2)CC1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C27H27F4N3O.C26H26F4N4O.C26H27F4N3OS.C24H25F4N5O/c28-23-15-22(27(29,30)31)16-24(17-23)32-26(35)34(19-21-9-5-2-6-10-21)25-11-13-33(14-12-25)18-20-7-3-1-4-8-20;27-21-14-20(26(28,29)30)15-23(16-21)32-25(35)34(17-19-6-2-1-3-7-19)24-9-12-33(13-10-24)18-22-8-4-5-11-31-22;1-18-7-8-24(35-18)17-32-11-9-23(10-12-32)33(16-19-5-3-2-4-6-19)25(34)31-22-14-20(26(28,29)30)13-21(27)15-22;25-19-12-18(24(26,27)28)13-20(14-19)31-23(34)33(15-17-4-2-1-3-5-17)21-6-10-32(11-7-21)16-22-29-8-9-30-22/h1-10,15-17,25H,11-14,18-19H2,(H,32,35);1-8,11,14-16,24H,9-10,12-13,17-18H2,(H,32,35);2-8,13-15,23H,9-12,16-17H2,1H3,(H,31,34);1-5,8-9,12-14,21H,6-7,10-11,15-16H2,(H,29,30)(H,31,34)
InChIKeyAMTHTSWISCWKTK-UHFFFAOYSA-N
MW1953.11 g/mol
LogP24.66
Rot. Bonds24

About 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 157164537) has the molecular formula C103H105F16N15O4S and a molecular weight of 1953.11 g/mol. Its IUPAC name is 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
PubChem CID157164537
Molecular FormulaC103H105F16N15O4S
Molecular Weight1953.11 g/mol
Exact Mass1951.79
IUPAC Name1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
SMILESCc1ccc(CN2CCC(N(Cc3ccccc3)C(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC2)s1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ccccn2)CC1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C27H27F4N3O.C26H26F4N4O.C26H27F4N3OS.C24H25F4N5O/c28-23-15-22(27(29,30)31)16-24(17-23)32-26(35)34(19-21-9-5-2-6-10-21)25-11-13-33(14-12-25)18-20-7-3-1-4-8-20;27-21-14-20(26(28,29)30)15-23(16-21)32-25(35)34(17-19-6-2-1-3-7-19)24-9-12-33(13-10-24)18-22-8-4-5-11-31-22;1-18-7-8-24(35-18)17-32-11-9-23(10-12-32)33(16-19-5-3-2-4-6-19)25(34)31-22-14-20(26(28,29)30)13-21(27)15-22;25-19-12-18(24(26,27)28)13-20(14-19)31-23(34)33(15-17-4-2-1-3-5-17)21-6-10-32(11-7-21)16-22-29-8-9-30-22/h1-10,15-17,25H,11-14,18-19H2,(H,32,35);1-8,11,14-16,24H,9-10,12-13,17-18H2,(H,32,35);2-8,13-15,23H,9-12,16-17H2,1H3,(H,31,34);1-5,8-9,12-14,21H,6-7,10-11,15-16H2,(H,29,30)(H,31,34)
InChIKeyAMTHTSWISCWKTK-UHFFFAOYSA-N
XLogP24.66
TPSA183.89 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001953.11
LogP ≤ 524.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-Benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea
CID 158239076
1-[1-(1,3-Benzothiazol-2-ylmethyl)piperidin-4-yl]-1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutan-2-yl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]urea
CID 160694171
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-4-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-thiophen-3-ylpropan-2-yl]-N-[(4-pentylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 161252727
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 157404304
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrimidin-2-ylmethyl)azetidine-1-carboxamide;N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(5-methylthiophen-2-yl)-2-pyridinyl]-3-(pyrimidin-2-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-(pyrimidin-2-ylmethyl)azetidine-1-carboxamide
CID 159132861
1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(2,4-difluorophenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-ethylsulfonylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3-methylphenyl)urea;1-[3-(2-tert-butyl-4-pyridin-4-yl-1H-imidazol-5-yl)-2-fluorophenyl]-3-(4-methylsulfonylphenyl)urea
CID 161019468

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea (CID 157164537) is 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is Cc1ccc(CN2CCC(N(Cc3ccccc3)C(=O)Nc3cc(F)cc(C(F)(F)F)c3)CC2)s1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ccccn2)CC1.O=C(Nc1cc(F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is AMTHTSWISCWKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N3O.C26H26F4N4O.C26H27F4N3OS.C24H25F4N5O/c28-23-15-22(27(29,30)31)16-24(17-23)32-26(35)34(19-21-9-5-2-6-10-21)25-11-13-33(14-12-25)18-20-7-3-1-4-8-20;27-21-14-20(26(28,29)30)15-23(16-21)32-25(35)34(17-19-6-2-1-3-7-19)24-9-12-33(13-10-24)18-22-8-4-5-11-31-22;1-18-7-8-24(35-18)17-32-11-9-23(10-12-32)33(16-19-5-3-2-4-6-19)25(34)31-22-14-20(26(28,29)30)13-21(27)15-22;25-19-12-18(24(26,27)28)13-20(14-19)31-23(34)33(15-17-4-2-1-3-5-17)21-6-10-32(11-7-21)16-22-29-8-9-30-22/h1-10,15-17,25H,11-14,18-19H2,(H,32,35);1-8,11,14-16,24H,9-10,12-13,17-18H2,(H,32,35);2-8,13-15,23H,9-12,16-17H2,1H3,(H,31,34);1-5,8-9,12-14,21H,6-7,10-11,15-16H2,(H,29,30)(H,31,34).
What are the key properties of 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea?
1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 1953.11 g/mol, XLogP of 24.66, 24 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(1-benzylpiperidin-4-yl)-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 157164537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).