1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea

C25H24FN3O2 — CID 163572506

IUPAC1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCN(c3ccc(-c4ccc(F)cc4)cc3)C2=O)cc1
InChIInChI=1S/C25H24FN3O2/c1-17-4-12-21(13-5-17)27-25(31)28-23-3-2-16-29(24(23)30)22-14-8-19(9-15-22)18-6-10-20(26)11-7-18/h4-15,23H,2-3,16H2,1H3,(H2,27,28,31)
InChIKeyGAPUUILIROJEQW-UHFFFAOYSA-N
MW417.48 g/mol
LogP5.12
Rot. Bonds4

About 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea

1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea (PubChem CID 163572506) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
PubChem CID163572506
Molecular FormulaC25H24FN3O2
Molecular Weight417.48 g/mol
Exact Mass417.19
IUPAC Name1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CCCN(c3ccc(-c4ccc(F)cc4)cc3)C2=O)cc1
InChIInChI=1S/C25H24FN3O2/c1-17-4-12-21(13-5-17)27-25(31)28-23-3-2-16-29(24(23)30)22-14-8-19(9-15-22)18-6-10-20(26)11-7-18/h4-15,23H,2-3,16H2,1H3,(H2,27,28,31)
InChIKeyGAPUUILIROJEQW-UHFFFAOYSA-N
XLogP5.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluorophenyl)carbamoylamino]-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 154839202
1-[(3R)-1-[4-(4-fluoro-2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129227181
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878
1-[(3R)-2-oxo-1-[4-[2-(trifluoromethoxy)phenyl]phenyl]piperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226612
1-(4-fluorophenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42853639
1-[2-(aminomethyl)phenyl]-3-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 167807431
1-[(3R)-1-[4-(6-fluoro-2-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 142493644
1-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 95051247
1-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014855
[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
CID 155745678
1-[(3R)-1-[4-(3-hydroxypiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971350

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea (CID 163572506) is 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CCCN(c3ccc(-c4ccc(F)cc4)cc3)C2=O)cc1.
What is the InChIKey of 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea?
The InChIKey is GAPUUILIROJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c1-17-4-12-21(13-5-17)27-25(31)28-23-3-2-16-29(24(23)30)22-14-8-19(9-15-22)18-6-10-20(26)11-7-18/h4-15,23H,2-3,16H2,1H3,(H2,27,28,31).
What are the key properties of 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea?
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea has a molecular weight of 417.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 163572506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).