3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea

C24H24FN5O3 — CID 20782431

IUPAC3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C24H24FN5O3/c1-29(20-9-11-30(12-10-20)23(32)21-14-27-22(31)15-26-21)24(33)28-19-7-5-16(6-8-19)17-3-2-4-18(25)13-17/h2-8,13-15,20H,9-12H2,1H3,(H,27,31)(H,28,33)
InChIKeyLALVSBBYZAIQRB-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.34
Rot. Bonds4

About 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea

3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea (PubChem CID 20782431) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea
PubChem CID20782431
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1
InChIInChI=1S/C24H24FN5O3/c1-29(20-9-11-30(12-10-20)23(32)21-14-27-22(31)15-26-21)24(33)28-19-7-5-16(6-8-19)17-3-2-4-18(25)13-17/h2-8,13-15,20H,9-12H2,1H3,(H,27,31)(H,28,33)
InChIKeyLALVSBBYZAIQRB-UHFFFAOYSA-N
XLogP3.34
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-fluorophenyl)phenyl]-1-(4-hydroxyiminocyclohexyl)-1-methylurea
CID 20782434
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(5-methylpyridine-3-carbonyl)piperidin-4-yl]urea
CID 20782384
1-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782205
1-(1-acetylpiperidin-4-yl)-3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methylurea
CID 10179396
3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
CID 71048951
1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
CID 20782216
3-[4-(3,5-difluorophenyl)phenyl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10158780
1-(1-benzoylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)pyrimidin-5-yl]-1-methylurea;methane
CID 158468317
1-[1-(2-aminoacetyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782190
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 10161144
3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
CID 10295548

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea (CID 20782431) is 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea is CN(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)C1CCN(C(=O)c2c[nH]c(=O)cn2)CC1.
What is the InChIKey of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is LALVSBBYZAIQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-29(20-9-11-30(12-10-20)23(32)21-14-27-22(31)15-26-21)24(33)28-19-7-5-16(6-8-19)17-3-2-4-18(25)13-17/h2-8,13-15,20H,9-12H2,1H3,(H,27,31)(H,28,33).
What are the key properties of 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea?
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 449.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 20782431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).