1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

C97H114F14N14O4 — CID 161342309

IUPAC1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(c1ccccc1)N1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.CC(c1ccccn1)N1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.CCCN1CCC(N(CC(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.CCCN1CCC(N(Cc2ccncc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C28H29F4N3O.C27H28F4N4O.C22H27F3N4O.C20H30F3N3O/c1-20(22-10-6-3-7-11-22)34-14-12-26(13-15-34)35(19-21-8-4-2-5-9-21)27(36)33-25-17-23(28(30,31)32)16-24(29)18-25;1-19(25-9-5-6-12-32-25)34-13-10-24(11-14-34)35(18-20-7-3-2-4-8-20)26(36)33-23-16-21(27(29,30)31)15-22(28)17-23;1-2-12-28-13-8-20(9-14-28)29(16-17-6-10-26-11-7-17)21(30)27-19-5-3-4-18(15-19)22(23,24)25;1-4-10-25-11-8-18(9-12-25)26(14-15(2)3)19(27)24-17-7-5-6-16(13-17)20(21,22)23/h2-11,16-18,20,26H,12-15,19H2,1H3,(H,33,36);2-9,12,15-17,19,24H,10-11,13-14,18H2,1H3,(H,33,36);3-7,10-11,15,20H,2,8-9,12-14,16H2,1H3,(H,27,30);5-7,13,15,18H,4,8-12,14H2,1-3H3,(H,24,27)
InChIKeyVMVIKJCXCYUJRG-UHFFFAOYSA-N
MW1806.04 g/mol
LogP23.68
Rot. Bonds24

About 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea

1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 161342309) has the molecular formula C97H114F14N14O4 and a molecular weight of 1806.04 g/mol. Its IUPAC name is 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID161342309
Molecular FormulaC97H114F14N14O4
Molecular Weight1806.04 g/mol
Exact Mass1804.89
IUPAC Name1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(c1ccccc1)N1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.CC(c1ccccn1)N1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.CCCN1CCC(N(CC(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.CCCN1CCC(N(Cc2ccncc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C28H29F4N3O.C27H28F4N4O.C22H27F3N4O.C20H30F3N3O/c1-20(22-10-6-3-7-11-22)34-14-12-26(13-15-34)35(19-21-8-4-2-5-9-21)27(36)33-25-17-23(28(30,31)32)16-24(29)18-25;1-19(25-9-5-6-12-32-25)34-13-10-24(11-14-34)35(18-20-7-3-2-4-8-20)26(36)33-23-16-21(27(29,30)31)15-22(28)17-23;1-2-12-28-13-8-20(9-14-28)29(16-17-6-10-26-11-7-17)21(30)27-19-5-3-4-18(15-19)22(23,24)25;1-4-10-25-11-8-18(9-12-25)26(14-15(2)3)19(27)24-17-7-5-6-16(13-17)20(21,22)23/h2-11,16-18,20,26H,12-15,19H2,1H3,(H,33,36);2-9,12,15-17,19,24H,10-11,13-14,18H2,1H3,(H,33,36);3-7,10-11,15,20H,2,8-9,12-14,16H2,1H3,(H,27,30);5-7,13,15,18H,4,8-12,14H2,1-3H3,(H,24,27)
InChIKeyVMVIKJCXCYUJRG-UHFFFAOYSA-N
XLogP23.68
TPSA168.10 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001806.04
LogP ≤ 523.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

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1-((2R,3R)-2-Pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-3-(3-trifluoromethyl-phenyl)-urea
CID 44401927
1-Benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 126711278
1-Benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea
CID 126711444
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1-[(R)-(5-Ethenylquinuclidine-2-yl)(4-quinolinyl)methyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
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1-{1-[2-(Pyridin-2-yl)ethyl]piperidin-4-yl}-1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 161342309) is 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea is CC(c1ccccc1)N1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.CC(c1ccccn1)N1CCC(N(Cc2ccccc2)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1.CCCN1CCC(N(CC(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.CCCN1CCC(N(Cc2ccncc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is VMVIKJCXCYUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N3O.C27H28F4N4O.C22H27F3N4O.C20H30F3N3O/c1-20(22-10-6-3-7-11-22)34-14-12-26(13-15-34)35(19-21-8-4-2-5-9-21)27(36)33-25-17-23(28(30,31)32)16-24(29)18-25;1-19(25-9-5-6-12-32-25)34-13-10-24(11-14-34)35(18-20-7-3-2-4-8-20)26(36)33-23-16-21(27(29,30)31)15-22(28)17-23;1-2-12-28-13-8-20(9-14-28)29(16-17-6-10-26-11-7-17)21(30)27-19-5-3-4-18(15-19)22(23,24)25;1-4-10-25-11-8-18(9-12-25)26(14-15(2)3)19(27)24-17-7-5-6-16(13-17)20(21,22)23/h2-11,16-18,20,26H,12-15,19H2,1H3,(H,33,36);2-9,12,15-17,19,24H,10-11,13-14,18H2,1H3,(H,33,36);3-7,10-11,15,20H,2,8-9,12-14,16H2,1H3,(H,27,30);5-7,13,15,18H,4,8-12,14H2,1-3H3,(H,24,27).
What are the key properties of 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1806.04 g/mol, XLogP of 23.68, 24 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-phenylethyl)piperidin-4-yl]urea;1-benzyl-3-[3-fluoro-5-(trifluoromethyl)phenyl]-1-[1-(1-pyridin-2-ylethyl)piperidin-4-yl]urea;1-(2-methylpropyl)-1-(1-propylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;1-(1-propylpiperidin-4-yl)-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 161342309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).