1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea

C20H25N3OS — CID 17087504

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3OS/c1-25-19-9-5-8-18(14-19)22-20(24)21-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H2,21,22,24)
InChIKeyAIKRUOOPPUHHRQ-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.19
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 17087504) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea
PubChem CID17087504
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3OS/c1-25-19-9-5-8-18(14-19)22-20(24)21-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H2,21,22,24)
InChIKeyAIKRUOOPPUHHRQ-UHFFFAOYSA-N
XLogP4.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Benzylpiperidin-4-yl)-1-phenylurea
CID 4064342
N-benzyl-N'-[4-(methylthio)phenyl]urea
CID 2822858
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
N-{4-[(4-ethyl-1-piperazinyl)methyl]phenyl}-N'-[4-(methylthio)phenyl]urea
CID 2968707
1-[3-[4-(2-Fluorophenyl)-1-piperazinyl]propyl]-3-[4-(methylthio)phenyl]urea
CID 3242768
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-[4-(methylthio)phenyl]urea
CID 6621533
N-(1-benzyl-4-piperidinyl)-N'-(4-fluorophenyl)urea
CID 6465310
N-(1-benzyl-4-piperidinyl)-N'-(3-fluorophenyl)urea
CID 6471104
N-[3-(4-Benzylpiperidin-1-yl)propyl]-N'-phenylurea
CID 22393333
1-Benzyl-3-(3,4-difluorophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711224
1-Benzyl-3-(4-iodophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711309
1-Benzyl-3-(3-fluorophenyl)-1-(1-pentan-2-ylpiperidin-4-yl)urea
CID 126711332

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea (CID 17087504) is 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is AIKRUOOPPUHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-25-19-9-5-8-18(14-19)22-20(24)21-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16/h2-9,14,17H,10-13,15H2,1H3,(H2,21,22,24).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 355.51 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 17087504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).