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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen

C107H141Cl4F3N12O6 — CID 159652295

IUPAC1-(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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen
SMILESCC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccccc3)CC2)c1.COc1cccc(NC(=O)NC2CCCCC2CN2CCC(Cc3ccccc3)CC2)c1.Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cccc(Cl)c3Cl)CC2)CC1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H]
InChIInChI=1S/C28H37N3O2.C27H37N3O2.C26H31Cl2F3N4O.C26H32Cl2N2O.2H2/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;1-32-25-12-7-11-24(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;1-19-5-2-3-6-21(19)18-25(31)30-15-11-23(12-16-30)29-13-9-20(10-14-29)17-22-7-4-8-24(27)26(22)28;;/h2-4,7-9,11-12,19,23,25,27H,5-6,10,13-18,20H2,1H3,(H2,29,30,33);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);2-8,20,23H,9-18H2,1H3;2*1H/t25-,27+;;;;;/m0...../s1
InChIKeyMRSKUTVCSVROJH-VEYJNCEHSA-N
MW1890.19 g/mol
LogP23.96
Rot. Bonds25

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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen (PubChem CID 159652295) has the molecular formula C107H141Cl4F3N12O6 and a molecular weight of 1890.19 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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen.

Molecular Properties

Compound Name1-(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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen
PubChem CID159652295
Molecular FormulaC107H141Cl4F3N12O6
Molecular Weight1890.19 g/mol
Exact Mass1886.98
IUPAC Name1-(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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen
SMILESCC(=O)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC(Cc3ccccc3)CC2)c1.COc1cccc(NC(=O)NC2CCCCC2CN2CCC(Cc3ccccc3)CC2)c1.Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cccc(Cl)c3Cl)CC2)CC1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[H][H].[H][H]
InChIInChI=1S/C28H37N3O2.C27H37N3O2.C26H31Cl2F3N4O.C26H32Cl2N2O.2H2/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;1-32-25-12-7-11-24(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;1-19-5-2-3-6-21(19)18-25(31)30-15-11-23(12-16-30)29-13-9-20(10-14-29)17-22-7-4-8-24(27)26(22)28;;/h2-4,7-9,11-12,19,23,25,27H,5-6,10,13-18,20H2,1H3,(H2,29,30,33);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);2-8,20,23H,9-18H2,1H3;2*1H/t25-,27+;;;;;/m0...../s1
InChIKeyMRSKUTVCSVROJH-VEYJNCEHSA-N
XLogP23.96
TPSA186.20 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.19
LogP ≤ 523.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide;N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide;N-(2,5-dimethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;1-(3-fluorobenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;1-(2-phenylacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 159684300
2-(3-chloro-4-methylphenyl)-1-[1-(2-methylbenzoyl)piperidin-4-yl]ethanone;N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide;N-(2,5-dimethoxyphenyl)-1-(4-ethylbenzoyl)piperidine-4-carboxamide;1-(3-fluorobenzoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(4-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide;1-(2-phenylacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 160380407
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

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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen (CID 159652295) 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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;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.Cc1ccccc1CC(=O)N1CCC(N2CCC(Cc3cccc(Cl)c3Cl)CC2)CC1.O=C(NCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2CCCCC2)CC1)Nc1cc(Cl)cc(Cl)c1.[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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen?
The InChIKey is MRSKUTVCSVROJH-VEYJNCEHSA-N. The full InChI is InChI=1S/C28H37N3O2.C27H37N3O2.C26H31Cl2F3N4O.C26H32Cl2N2O.2H2/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;1-32-25-12-7-11-24(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;1-19-5-2-3-6-21(19)18-25(31)30-15-11-23(12-16-30)29-13-9-20(10-14-29)17-22-7-4-8-24(27)26(22)28;;/h2-4,7-9,11-12,19,23,25,27H,5-6,10,13-18,20H2,1H3,(H2,29,30,33);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);2-8,20,23H,9-18H2,1H3;2*1H/t25-,27+;;;;;/m0...../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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen has a molecular weight of 1890.19 g/mol, XLogP of 23.96, 25 rotatable bonds, 6 hydrogen bond donors, and 11 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-[4-[4-[(2,3-dichlorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone;molecular hydrogen is sourced from PubChem (CID 159652295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).