1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

C26H24F3N3O3 — CID 129226941

IUPAC1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H24F3N3O3/c1-35-23-7-3-2-5-21(23)17-8-14-20(15-9-17)32-16-4-6-22(24(32)33)31-25(34)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5,7-15,22H,4,6,16H2,1H3,(H2,30,31,34)/t22-/m1/s1
InChIKeyQFNTZIQCGXXPIX-JOCHJYFZSA-N
MW483.49 g/mol
LogP5.70
Rot. Bonds5

About 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 129226941) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID129226941
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H24F3N3O3/c1-35-23-7-3-2-5-21(23)17-8-14-20(15-9-17)32-16-4-6-22(24(32)33)31-25(34)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5,7-15,22H,4,6,16H2,1H3,(H2,30,31,34)/t22-/m1/s1
InChIKeyQFNTZIQCGXXPIX-JOCHJYFZSA-N
XLogP5.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 129226941) is 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is COc1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is QFNTZIQCGXXPIX-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-35-23-7-3-2-5-21(23)17-8-14-20(15-9-17)32-16-4-6-22(24(32)33)31-25(34)30-19-12-10-18(11-13-19)26(27,28)29/h2-3,5,7-15,22H,4,6,16H2,1H3,(H2,30,31,34)/t22-/m1/s1.
What are the key properties of 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 483.49 g/mol, XLogP of 5.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[4-(2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 129226941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).