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

C19H28Cl2N4O3S — CID 10183204

IUPAC3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H28Cl2N4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-17(20)18(21)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)
InChIKeyJYACRUOSEYXPRQ-UHFFFAOYSA-N
MW463.43 g/mol
LogP3.03
Rot. Bonds4

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

3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea (PubChem CID 10183204) has the molecular formula C19H28Cl2N4O3S and a molecular weight of 463.43 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
PubChem CID10183204
Molecular FormulaC19H28Cl2N4O3S
Molecular Weight463.43 g/mol
Exact Mass462.13
IUPAC Name3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
SMILESCN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C19H28Cl2N4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-17(20)18(21)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26)
InChIKeyJYACRUOSEYXPRQ-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-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
N-(3,4-dichlorophenyl)-1,4'-bipiperidine-1'-carboxamide
CID 3239572
3-[1-(3-Chloro-4-fluorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10160875
3-[1-(3-Chlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10202875
3-[1-(3,5-Dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10298415
N-(3,4-Dichlorophenyl)-4-{[(3R)-1-ethylpiperidin-3-yl]methyl}piperazine-1-carboxamide
CID 11553070
N-(3,4-dichlorophenyl)-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide
CID 11632418
N-(3,4-dichlorophenyl)-4-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 11647276
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(1-phenylpiperidin-4-yl)urea
CID 20610104
3-[1-(4-Chlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610118
4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 57656715
N-(3,4-dichlorophenyl)-4-[(4-ethylpiperazin-2-yl)methyl]piperazine-1-carboxamide
CID 57656808

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea (CID 10183204) is 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea is CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
The InChIKey is JYACRUOSEYXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N4O3S/c1-23(15-7-11-25(12-8-15)29(2,27)28)19(26)22-14-5-9-24(10-6-14)16-3-4-17(20)18(21)13-16/h3-4,13-15H,5-12H2,1-2H3,(H,22,26).
What are the key properties of 3-[1-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea?
3-[1-(3,4-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-(3,4-dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea is sourced from PubChem (CID 10183204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).