3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea

C19H28Cl2N4O3S — CID 10298415

IUPAC3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H28Cl2N4O3S/c1-23(17-5-9-25(10-6-17)29(2,27)28)19(26)22-16-3-7-24(8-4-16)18-12-14(20)11-15(21)13-18/h11-13,16-17H,3-10H2,1-2H3,(H,22,26)
InChIKeySYMLOKOWCQJGOQ-UHFFFAOYSA-N
MW463.43 g/mol
LogP3.03
Rot. Bonds4

About 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea

3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 10298415) has the molecular formula C19H28Cl2N4O3S and a molecular weight of 463.43 g/mol. Its IUPAC name is 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID10298415
Molecular FormulaC19H28Cl2N4O3S
Molecular Weight463.43 g/mol
Exact Mass462.13
IUPAC Name3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H28Cl2N4O3S/c1-23(17-5-9-25(10-6-17)29(2,27)28)19(26)22-16-3-7-24(8-4-16)18-12-14(20)11-15(21)13-18/h11-13,16-17H,3-10H2,1-2H3,(H,22,26)
InChIKeySYMLOKOWCQJGOQ-UHFFFAOYSA-N
XLogP3.03
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783424
3-[1-(3-Fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10112368
3-[1-(3-Chloro-4-fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10160875
3-[1-(3,5-Difluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10181110
3-[1-(3,4-Dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10183204
3-[1-(3-Chlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10202875
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 20610104
3-[1-(2-Fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610110
3-[1-(3,4-Difluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610111
3-[1-(4-Chlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610118
3-[1-(4-Fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610119
N-(3-chlorophenyl)-N'-{2-[4-(methylsulfonyl)-1-piperazinyl]phenyl}urea
CID 6472376

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea (CID 10298415) is 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea is CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is SYMLOKOWCQJGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N4O3S/c1-23(17-5-9-25(10-6-17)29(2,27)28)19(26)22-16-3-7-24(8-4-16)18-12-14(20)11-15(21)13-18/h11-13,16-17H,3-10H2,1-2H3,(H,22,26).
What are the key properties of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea has a molecular weight of 463.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 10298415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).