1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C17H25BrFN3O — CID 51128647

IUPAC1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C17H25BrFN3O/c1-12(2)11-22-7-5-14(6-8-22)21-17(23)20-10-13-3-4-15(18)16(19)9-13/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyFCDAHDZBFIGJSR-UHFFFAOYSA-N
MW386.31 g/mol
LogP3.51
Rot. Bonds5

About 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 51128647) has the molecular formula C17H25BrFN3O and a molecular weight of 386.31 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID51128647
Molecular FormulaC17H25BrFN3O
Molecular Weight386.31 g/mol
Exact Mass385.12
IUPAC Name1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C17H25BrFN3O/c1-12(2)11-22-7-5-14(6-8-22)21-17(23)20-10-13-3-4-15(18)16(19)9-13/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyFCDAHDZBFIGJSR-UHFFFAOYSA-N
XLogP3.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-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-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55768822
1-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017704
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 87000361
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 52537970
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111618471
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 132968728
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111722272

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 51128647) is 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is CC(C)CN1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is FCDAHDZBFIGJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN3O/c1-12(2)11-22-7-5-14(6-8-22)21-17(23)20-10-13-3-4-15(18)16(19)9-13/h3-4,9,12,14H,5-8,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 386.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 51128647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).