1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea

C19H20Cl3N3O — CID 23825400

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl3N3O/c20-15-10-17(22)18(11-16(15)21)24-19(26)23-14-6-8-25(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H2,23,24,26)
InChIKeyWGSKYLGMVFCYDE-UHFFFAOYSA-N
MW412.75 g/mol
LogP5.43
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea (PubChem CID 23825400) has the molecular formula C19H20Cl3N3O and a molecular weight of 412.75 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
PubChem CID23825400
Molecular FormulaC19H20Cl3N3O
Molecular Weight412.75 g/mol
Exact Mass411.07
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20Cl3N3O/c20-15-10-17(22)18(11-16(15)21)24-19(26)23-14-6-8-25(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H2,23,24,26)
InChIKeyWGSKYLGMVFCYDE-UHFFFAOYSA-N
XLogP5.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
1-(1-benzothiophen-3-yl)-3-(1-benzylpiperidin-4-yl)urea
CID 2813504
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
2-[(3R)-3-(cyclopropylcarbamoylamino)pyrrolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 99783586
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea (CID 23825400) is 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea is O=C(Nc1cc(Cl)c(Cl)cc1Cl)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea?
The InChIKey is WGSKYLGMVFCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O/c20-15-10-17(22)18(11-16(15)21)24-19(26)23-14-6-8-25(9-7-14)12-13-4-2-1-3-5-13/h1-5,10-11,14H,6-9,12H2,(H2,23,24,26).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea has a molecular weight of 412.75 g/mol, XLogP of 5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea is sourced from PubChem (CID 23825400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).