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

C115H151Cl10N21O12S3 — CID 158600645

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-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
SMILESCCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(Cl)cc(Cl)c3)CC2)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.C21H32Cl2N4O3S/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;1-3-12-31(29,30)27-10-6-19(7-11-27)25(2)21(28)24-18-4-8-26(9-5-18)20-14-16(22)13-17(23)15-20/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);13-15,18-19H,3-12H2,1-2H3,(H,24,28)
InChIKeyHVOYFSFXGVRQLU-UHFFFAOYSA-N
MW2470.34 g/mol
LogP21.93
Rot. Bonds23

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-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-(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 (PubChem CID 158600645) has the molecular formula C115H151Cl10N21O12S3 and a molecular weight of 2470.34 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-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.

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-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
PubChem CID158600645
Molecular FormulaC115H151Cl10N21O12S3
Molecular Weight2470.34 g/mol
Exact Mass2463.79
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-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
SMILESCCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(Cl)cc(Cl)c3)CC2)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.C21H32Cl2N4O3S/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;1-3-12-31(29,30)27-10-6-19(7-11-27)25(2)21(28)24-18-4-8-26(9-5-18)20-14-16(22)13-17(23)15-20/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);13-15,18-19H,3-12H2,1-2H3,(H,24,28)
InChIKeyHVOYFSFXGVRQLU-UHFFFAOYSA-N
XLogP21.93
TPSA326.48 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002470.34
LogP ≤ 521.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

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-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 with MolForge

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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-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?
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-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) 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-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.
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-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?
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-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 is CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(Cl)cc(Cl)c3)CC2)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-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?
The InChIKey is HVOYFSFXGVRQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O2.C24H30Cl2N4O3S.C23H28Cl2N4O2S.C23H32Cl2N4O2.C21H32Cl2N4O3S/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;1-3-12-31(29,30)27-10-6-19(7-11-27)25(2)21(28)24-18-4-8-26(9-5-18)20-14-16(22)13-17(23)15-20/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);13-15,18-19H,3-12H2,1-2H3,(H,24,28).
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-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-(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 has a molecular weight of 2470.34 g/mol, XLogP of 21.93, 23 rotatable bonds, 5 hydrogen bond donors, and 19 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-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 is sourced from PubChem (CID 158600645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).