1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

C80H101F18N15O12S — CID 160544430

IUPAC1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)CC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C19H26F3N3O2.C17H22F3N3O4.C15H17F6N3O.C15H18F3N3O2.C14H18F3N3O3S/c1-18(2,3)12-16(26)25-10-8-15(9-11-25)24-17(27)23-14-6-4-13(5-7-14)19(20,21)22;1-11(2)26-16(25)23-9-7-13(8-10-23)22-15(24)21-12-3-5-14(6-4-12)27-17(18,19)20;16-14(17,18)9-24-7-5-12(6-8-24)23-13(25)22-11-3-1-10(2-4-11)15(19,20)21;1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18;1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h4-7,15H,8-12H2,1-3H3,(H2,23,24,27);3-6,11,13H,7-10H2,1-2H3,(H2,21,22,24);1-4,12H,5-9H2,(H2,22,23,25);2-5,13H,6-9H2,1H3,(H2,19,20,23);2-5,12H,6-9H2,1H3,(H2,18,19,21)
InChIKeyQXFRRTUTTIOYGV-UHFFFAOYSA-N
MW1838.81 g/mol
LogP16.91
Rot. Bonds15

About 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 160544430) has the molecular formula C80H101F18N15O12S and a molecular weight of 1838.81 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID160544430
Molecular FormulaC80H101F18N15O12S
Molecular Weight1838.81 g/mol
Exact Mass1837.72
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)CC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C19H26F3N3O2.C17H22F3N3O4.C15H17F6N3O.C15H18F3N3O2.C14H18F3N3O3S/c1-18(2,3)12-16(26)25-10-8-15(9-11-25)24-17(27)23-14-6-4-13(5-7-14)19(20,21)22;1-11(2)26-16(25)23-9-7-13(8-10-23)22-15(24)21-12-3-5-14(6-4-12)27-17(18,19)20;16-14(17,18)9-24-7-5-12(6-8-24)23-13(25)22-11-3-1-10(2-4-11)15(19,20)21;1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18;1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h4-7,15H,8-12H2,1-3H3,(H2,23,24,27);3-6,11,13H,7-10H2,1-2H3,(H2,21,22,24);1-4,12H,5-9H2,(H2,22,23,25);2-5,13H,6-9H2,1H3,(H2,19,20,23);2-5,12H,6-9H2,1H3,(H2,18,19,21)
InChIKeyQXFRRTUTTIOYGV-UHFFFAOYSA-N
XLogP16.91
TPSA325.66 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.81
LogP ≤ 516.91
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-isocyanato-4-methylbenzene;methyl 3-(anilinomethyl)piperidine-1-carboxylate;methyl 3-[[N-[[4-(trifluoromethoxy)phenyl]carbamoyl]anilino]methyl]piperidine-1-carboxylate;1-phenyl-1-[(1-prop-2-enylpiperidin-3-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 157516919
4-(tert-butylsulfonylamino)-N-(4-cyclohexylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-fluorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(oxan-4-yloxy)phenyl]piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide;N-(4-cyclohexylphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 158400835
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(2-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;N-(4-methoxyphenyl)-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide;4-(propan-2-ylsulfonylamino)-N-(2,4,6-trifluorophenyl)piperidine-1-carboxamide
CID 158674862
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
N-(4-butan-2-ylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;N-(4-tert-butylphenyl)-4-(tert-butylsulfonylamino)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-chlorophenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-methoxyphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide;4-(tert-butylsulfonylamino)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 161182583

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 160544430) is 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is CC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)(C)CC(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.CC(C)OC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.CS(=O)(=O)N1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is QXFRRTUTTIOYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2.C17H22F3N3O4.C15H17F6N3O.C15H18F3N3O2.C14H18F3N3O3S/c1-18(2,3)12-16(26)25-10-8-15(9-11-25)24-17(27)23-14-6-4-13(5-7-14)19(20,21)22;1-11(2)26-16(25)23-9-7-13(8-10-23)22-15(24)21-12-3-5-14(6-4-12)27-17(18,19)20;16-14(17,18)9-24-7-5-12(6-8-24)23-13(25)22-11-3-1-10(2-4-11)15(19,20)21;1-10(22)21-8-6-13(7-9-21)20-14(23)19-12-4-2-11(3-5-12)15(16,17)18;1-24(22,23)20-8-6-12(7-9-20)19-13(21)18-11-4-2-10(3-5-11)14(15,16)17/h4-7,15H,8-12H2,1-3H3,(H2,23,24,27);3-6,11,13H,7-10H2,1-2H3,(H2,21,22,24);1-4,12H,5-9H2,(H2,22,23,25);2-5,13H,6-9H2,1H3,(H2,19,20,23);2-5,12H,6-9H2,1H3,(H2,18,19,21).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 1838.81 g/mol, XLogP of 16.91, 15 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea;1-(1-methylsulfonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea;propan-2-yl 4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]piperidine-1-carboxylate;1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 160544430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).