1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea

C157H216Cl8N26O17S4 — CID 159867083

IUPAC1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.CN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)C2CCC2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccnc2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccs2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N5O2.C24H30Cl2N4O3S.C23H28Cl2N4O2S.C23H32Cl2N4O2.C22H33N3O2.C21H33N3O3S.C20H31N3O3S/c1-29(21-6-11-31(12-7-21)23(32)17-3-2-8-27-16-17)24(33)28-20-4-9-30(10-5-20)22-14-18(25)13-19(26)15-22;1-28(21-9-13-30(14-10-21)34(32,33)23-5-3-2-4-6-23)24(31)27-20-7-11-29(12-8-20)22-16-18(25)15-19(26)17-22;1-27(19-6-10-29(11-7-19)22(30)21-3-2-12-32-21)23(31)26-18-4-8-28(9-5-18)20-14-16(24)13-17(25)15-20;1-27(20-7-11-29(12-8-20)22(30)16-3-2-4-16)23(31)26-19-5-9-28(10-6-19)21-14-17(24)13-18(25)15-21;1-3-21(26)25-15-13-20(14-16-25)24(2)22(27)23-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-28(26,27)24-15-13-20(14-16-24)23(2)21(25)22-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-3,8,13-16,20-21H,4-7,9-12H2,1H3,(H,28,33);2-6,15-17,20-21H,7-14H2,1H3,(H,27,31);2-3,12-15,18-19H,4-11H2,1H3,(H,26,31);13-16,19-20H,2-12H2,1H3,(H,26,31);4-8,18-20H,3,9-16H2,1-2H3,(H,23,27);4-8,18-20H,3,9-16H2,1-2H3,(H,22,25);3-7,17-19H,8-15H2,1-2H3,(H,21,24)
InChIKeyNRWDKRLLXCCGAJ-UHFFFAOYSA-N
MW3151.51 g/mol
LogP27.83
Rot. Bonds30

About 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea

1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea (PubChem CID 159867083) has the molecular formula C157H216Cl8N26O17S4 and a molecular weight of 3151.51 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea
PubChem CID159867083
Molecular FormulaC157H216Cl8N26O17S4
Molecular Weight3151.51 g/mol
Exact Mass3145.32
IUPAC Name1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.CN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)C2CCC2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccnc2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccs2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H29Cl2N5O2.C24H30Cl2N4O3S.C23H28Cl2N4O2S.C23H32Cl2N4O2.C22H33N3O2.C21H33N3O3S.C20H31N3O3S/c1-29(21-6-11-31(12-7-21)23(32)17-3-2-8-27-16-17)24(33)28-20-4-9-30(10-5-20)22-14-18(25)13-19(26)15-22;1-28(21-9-13-30(14-10-21)34(32,33)23-5-3-2-4-6-23)24(31)27-20-7-11-29(12-8-20)22-16-18(25)15-19(26)17-22;1-27(19-6-10-29(11-7-19)22(30)21-3-2-12-32-21)23(31)26-18-4-8-28(9-5-18)20-14-16(24)13-17(25)15-20;1-27(20-7-11-29(12-8-20)22(30)16-3-2-4-16)23(31)26-19-5-9-28(10-6-19)21-14-17(24)13-18(25)15-21;1-3-21(26)25-15-13-20(14-16-25)24(2)22(27)23-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-28(26,27)24-15-13-20(14-16-24)23(2)21(25)22-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-3,8,13-16,20-21H,4-7,9-12H2,1H3,(H,28,33);2-6,15-17,20-21H,7-14H2,1H3,(H,27,31);2-3,12-15,18-19H,4-11H2,1H3,(H,26,31);13-16,19-20H,2-12H2,1H3,(H,26,31);4-8,18-20H,3,9-16H2,1-2H3,(H,23,27);4-8,18-20H,3,9-16H2,1-2H3,(H,22,25);3-7,17-19H,8-15H2,1-2H3,(H,21,24)
InChIKeyNRWDKRLLXCCGAJ-UHFFFAOYSA-N
XLogP27.83
TPSA445.61 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003151.51
LogP ≤ 527.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(1-Acetylpiperidin-4-yl)-3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methylurea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[4-(5-chlorothiophen-2-yl)phenyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 157282533
1-[1-(Benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea
CID 158600645
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 158806741
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(dimethylsulfamoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-5-methylsulfonylthiophene-2-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-sulfamoylbenzamide;2,6-dichloro-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 159883732
1-[1-(Benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
CID 159958602
1-[1-(Benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 160290229

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea (CID 159867083) is 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea is CCC(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCC(c3ccccc3)CC2)CC1.CN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)C2CCC2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccnc2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccs2)CC1.CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea?
The InChIKey is NRWDKRLLXCCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O2.C24H30Cl2N4O3S.C23H28Cl2N4O2S.C23H32Cl2N4O2.C22H33N3O2.C21H33N3O3S.C20H31N3O3S/c1-29(21-6-11-31(12-7-21)23(32)17-3-2-8-27-16-17)24(33)28-20-4-9-30(10-5-20)22-14-18(25)13-19(26)15-22;1-28(21-9-13-30(14-10-21)34(32,33)23-5-3-2-4-6-23)24(31)27-20-7-11-29(12-8-20)22-16-18(25)15-19(26)17-22;1-27(19-6-10-29(11-7-19)22(30)21-3-2-12-32-21)23(31)26-18-4-8-28(9-5-18)20-14-16(24)13-17(25)15-20;1-27(20-7-11-29(12-8-20)22(30)16-3-2-4-16)23(31)26-19-5-9-28(10-6-19)21-14-17(24)13-18(25)15-21;1-3-21(26)25-15-13-20(14-16-25)24(2)22(27)23-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-3-28(26,27)24-15-13-20(14-16-24)23(2)21(25)22-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-3,8,13-16,20-21H,4-7,9-12H2,1H3,(H,28,33);2-6,15-17,20-21H,7-14H2,1H3,(H,27,31);2-3,12-15,18-19H,4-11H2,1H3,(H,26,31);13-16,19-20H,2-12H2,1H3,(H,26,31);4-8,18-20H,3,9-16H2,1-2H3,(H,23,27);4-8,18-20H,3,9-16H2,1-2H3,(H,22,25);3-7,17-19H,8-15H2,1-2H3,(H,21,24).
What are the key properties of 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea?
1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea has a molecular weight of 3151.51 g/mol, XLogP of 27.83, 30 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methylurea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea;3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]urea;1-(1-ethylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea;1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea;1-methyl-3-(4-phenylcyclohexyl)-1-(1-propanoylpiperidin-4-yl)urea is sourced from PubChem (CID 159867083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).