1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea

C90H125F3N14O12S — CID 161064520

IUPAC1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.Cc1ccc(NC(=O)NC2CCC(Oc3ccc(C)cc3)CC2)cc1.Cc1ccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H26N2O2.C18H27N3O2.C17H20F3N3O3.C17H27N3O3S.C17H25N3O2/c1-15-3-7-17(8-4-15)22-21(24)23-18-9-13-20(14-10-18)25-19-11-5-16(2)6-12-19;1-4-14(3)17(22)21-11-9-16(10-12-21)20-18(23)19-15-7-5-13(2)6-8-15;18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11;1-3-4-13-24(22,23)20-11-9-16(10-12-20)19-17(21)18-15-7-5-14(2)6-8-15;1-12(2)16(21)20-10-8-15(9-11-20)19-17(22)18-14-6-4-13(3)5-7-14/h3-8,11-12,18,20H,9-10,13-14H2,1-2H3,(H2,22,23,24);5-8,14,16H,4,9-12H2,1-3H3,(H2,19,20,23);3-6,11,13H,1-2,7-10H2,(H2,21,22,25);5-8,16H,3-4,9-13H2,1-2H3,(H2,18,19,21);4-7,12,15H,8-11H2,1-3H3,(H2,18,19,22)/t;14-;;;/m.0.../s1
InChIKeyUDVMIOKJYFALAJ-ONKSPNTESA-N
MW1684.14 g/mol
LogP16.55
Rot. Bonds21

About 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea

1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea (PubChem CID 161064520) has the molecular formula C90H125F3N14O12S and a molecular weight of 1684.14 g/mol. Its IUPAC name is 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
PubChem CID161064520
Molecular FormulaC90H125F3N14O12S
Molecular Weight1684.14 g/mol
Exact Mass1682.93
IUPAC Name1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.Cc1ccc(NC(=O)NC2CCC(Oc3ccc(C)cc3)CC2)cc1.Cc1ccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H26N2O2.C18H27N3O2.C17H20F3N3O3.C17H27N3O3S.C17H25N3O2/c1-15-3-7-17(8-4-15)22-21(24)23-18-9-13-20(14-10-18)25-19-11-5-16(2)6-12-19;1-4-14(3)17(22)21-11-9-16(10-12-21)20-18(23)19-15-7-5-13(2)6-8-15;18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11;1-3-4-13-24(22,23)20-11-9-16(10-12-20)19-17(21)18-15-7-5-14(2)6-8-15;1-12(2)16(21)20-10-8-15(9-11-20)19-17(22)18-14-6-4-13(3)5-7-14/h3-8,11-12,18,20H,9-10,13-14H2,1-2H3,(H2,22,23,24);5-8,14,16H,4,9-12H2,1-3H3,(H2,19,20,23);3-6,11,13H,1-2,7-10H2,(H2,21,22,25);5-8,16H,3-4,9-13H2,1-2H3,(H2,18,19,21);4-7,12,15H,8-11H2,1-3H3,(H2,18,19,22)/t;14-;;;/m.0.../s1
InChIKeyUDVMIOKJYFALAJ-ONKSPNTESA-N
XLogP16.55
TPSA322.42 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001684.14
LogP ≤ 516.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Analyze 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea with MolForge

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Related Compounds

3-(2,4-Difluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-phenylurea
CID 66814607
3-(4-Fluorophenyl)-1-[(3-fluorophenyl)methyl]-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67037919
1,3-Bis(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038016
3-(4-Fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-[(4-methoxyphenyl)methyl]urea
CID 67038123
1-(2-Fluorophenyl)-3-(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038368
1-(3-Fluorophenyl)-3-(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038424
3-(4-Fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-(4-methylphenyl)urea
CID 67038556
3-(4-Fluorophenyl)-1-[(2-fluorophenyl)methyl]-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038621
3-(4-Fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-(oxan-4-ylmethyl)urea
CID 67038640
1-[(2,6-Difluorophenyl)methyl]-3-(4-fluorophenyl)-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038652
3-(4-Fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038824
1-Butyl-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-[4-(trifluoromethyl)phenyl]urea;hydrochloride
CID 142676896

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea (CID 161064520) is 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea is CCCCS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C)cc2)CC1.Cc1ccc(NC(=O)NC2CCC(Oc3ccc(C)cc3)CC2)cc1.Cc1ccc(NC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1.O=C(Nc1ccc(OC(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
The InChIKey is UDVMIOKJYFALAJ-ONKSPNTESA-N. The full InChI is InChI=1S/C21H26N2O2.C18H27N3O2.C17H20F3N3O3.C17H27N3O3S.C17H25N3O2/c1-15-3-7-17(8-4-15)22-21(24)23-18-9-13-20(14-10-18)25-19-11-5-16(2)6-12-19;1-4-14(3)17(22)21-11-9-16(10-12-21)20-18(23)19-15-7-5-13(2)6-8-15;18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11;1-3-4-13-24(22,23)20-11-9-16(10-12-20)19-17(21)18-15-7-5-14(2)6-8-15;1-12(2)16(21)20-10-8-15(9-11-20)19-17(22)18-14-6-4-13(3)5-7-14/h3-8,11-12,18,20H,9-10,13-14H2,1-2H3,(H2,22,23,24);5-8,14,16H,4,9-12H2,1-3H3,(H2,19,20,23);3-6,11,13H,1-2,7-10H2,(H2,21,22,25);5-8,16H,3-4,9-13H2,1-2H3,(H2,18,19,21);4-7,12,15H,8-11H2,1-3H3,(H2,18,19,22)/t;14-;;;/m.0.../s1.
What are the key properties of 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea?
1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea has a molecular weight of 1684.14 g/mol, XLogP of 16.55, 21 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)urea;1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-(4-methylphenyl)urea;1-[4-(4-methylphenoxy)cyclohexyl]-3-(4-methylphenyl)urea;1-(4-methylphenyl)-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 161064520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).