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

C25H26Cl2N4O — CID 11340348

IUPAC1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea
SMILESCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C25H26Cl2N4O/c1-31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32)
InChIKeySUOKPHYFCLUSQT-UHFFFAOYSA-N
MW469.42 g/mol
LogP5.84
Rot. Bonds5

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

1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea (PubChem CID 11340348) has the molecular formula C25H26Cl2N4O and a molecular weight of 469.42 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea
PubChem CID11340348
Molecular FormulaC25H26Cl2N4O
Molecular Weight469.42 g/mol
Exact Mass468.15
IUPAC Name1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea
SMILESCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C25H26Cl2N4O/c1-31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32)
InChIKeySUOKPHYFCLUSQT-UHFFFAOYSA-N
XLogP5.84
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea (CID 11340348) is 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea is CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccnc3)cc2)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea?
The InChIKey is SUOKPHYFCLUSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O/c1-31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea?
1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea has a molecular weight of 469.42 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[[1-methyl-4-(4-pyridin-3-ylphenyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 11340348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).