1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen

C108H155Cl2F4N13O7 — CID 160696259

About 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen

1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen (PubChem CID 160696259) has the molecular formula C108H155Cl2F4N13O7 and a molecular weight of 1894.41 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen
• PubChem CID: 160696259
• Molecular Formula: C108H155Cl2F4N13O7
• Molecular Weight: 1894.41 g/mol
• Exact Mass: 1892.15
• IUPAC Name: 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen
• SMILES: CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccccc3)CC2)c1.COc1cccc(NC(=O)NC2CCCCC2CN2CCC(Cc3ccccc3)CC2)c1.COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccc(F)cc3)CC2)c1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H37N3O2.C27H36FN3O2.C27H37N3O2.C26H31Cl2F3N4O.7H2/c1-21(32)24-11-7-12-26(19-24)29-28(33)30-27-13-6-5-10-25(27)20-31-16-14-23(15-17-31)18-22-8-3-2-4-9-22;1-33-25-7-4-6-24(18-25)29-27(32)30-26-8-3-2-5-22(26)19-31-15-13-21(14-16-31)17-20-9-11-23(28)12-10-20;1-32-25-12-7-11-24(19-25)28-27(31)29-26-13-6-5-10-23(26)20-30-16-14-22(15-17-30)18-21-8-3-2-4-9-21;27-20-14-21(28)16-22(15-20)33-25(36)32-17-24(18-6-8-19(9-7-18)26(29,30)31)35-12-10-34(11-13-35)23-4-2-1-3-5-23;;;;;;;/h2-4,7-9,11-12,19,23,25,27H,5-6,10,13-18,20H2,1H3,(H2,29,30,33);4,6-7,9-12,18,21-22,26H,2-3,5,8,13-17,19H2,1H3,(H2,29,30,32);2-4,7-9,11-12,19,22-23,26H,5-6,10,13-18,20H2,1H3,(H2,28,29,31);6-9,14-16,23-24H,1-5,10-13,17H2,(H2,32,33,36);7*1H/t25-,27+;22-,26+;;;;;;;;;/m00........./s1
• InChIKey: RQANZKUBSQCRBN-PJNVXLJCSA-N
• XLogP: 24.87
• TPSA: 216.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.41
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen?

The IUPAC name of 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen (CID 160696259) is 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen.

What is the SMILES notation for 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen?

The canonical SMILES for 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen is CC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccccc3)CC2)c1.COc1cccc(NC(=O)NC2CCCCC2CN2CCC(Cc3ccccc3)CC2)c1.COc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccc(F)cc3)CC2)c1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen?

The InChIKey is RQANZKUBSQCRBN-PJNVXLJCSA-N. The full InChI is InChI=1S/C28H37N3O2.C27H36FN3O2.C27H37N3O2.C26H31Cl2F3N4O.7H2/c1-21(32)24-11-7-12-26(19-24)29-28(33)30-27-13-6-5-10-25(27)20-31-16-14-23(15-17-31)18-22-8-3-2-4-9-22;1-33-25-7-4-6-24(18-25)29-27(32)30-26-8-3-2-5-22(26)19-31-15-13-21(14-16-31)17-20-9-11-23(28)12-10-20;1-32-25-12-7-11-24(19-25)28-27(31)29-26-13-6-5-10-23(26)20-30-16-14-22(15-17-30)18-21-8-3-2-4-9-21;27-20-14-21(28)16-22(15-20)33-25(36)32-17-24(18-6-8-19(9-7-18)26(29,30)31)35-12-10-34(11-13-35)23-4-2-1-3-5-23;;;;;;;/h2-4,7-9,11-12,19,23,25,27H,5-6,10,13-18,20H2,1H3,(H2,29,30,33);4,6-7,9-12,18,21-22,26H,2-3,5,8,13-17,19H2,1H3,(H2,29,30,32);2-4,7-9,11-12,19,22-23,26H,5-6,10,13-18,20H2,1H3,(H2,28,29,31);6-9,14-16,23-24H,1-5,10-13,17H2,(H2,32,33,36);7*1H/t25-,27+;22-,26+;;;;;;;;;/m00........./s1.

What are the key properties of 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen?

1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen has a molecular weight of 1894.41 g/mol, XLogP of 24.87, 27 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-acetylphenyl)-3-[(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]urea;1-[2-[(4-benzylpiperidin-1-yl)methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;1-[2-(4-cyclohexylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,5-dichlorophenyl)urea;1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-3-(3-methoxyphenyl)urea;molecular hydrogen is sourced from PubChem (CID 160696259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).