1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea

C25H25F3N4O — CID 20782286

IUPAC1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C25H25F3N4O/c1-31(24(33)30-20-11-9-19(10-12-20)18-6-3-2-4-7-18)21-13-16-32(17-14-21)23-22(25(26,27)28)8-5-15-29-23/h2-12,15,21H,13-14,16-17H2,1H3,(H,30,33)
InChIKeySGOAWEDGUSDJND-UHFFFAOYSA-N
MW454.50 g/mol
LogP5.90
Rot. Bonds4

About 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea

1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea (PubChem CID 20782286) has the molecular formula C25H25F3N4O and a molecular weight of 454.50 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
PubChem CID20782286
Molecular FormulaC25H25F3N4O
Molecular Weight454.50 g/mol
Exact Mass454.20
IUPAC Name1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C25H25F3N4O/c1-31(24(33)30-20-11-9-19(10-12-20)18-6-3-2-4-7-18)21-13-16-32(17-14-21)23-22(25(26,27)28)8-5-15-29-23/h2-12,15,21H,13-14,16-17H2,1H3,(H,30,33)
InChIKeySGOAWEDGUSDJND-UHFFFAOYSA-N
XLogP5.90
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.50
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(4-phenylphenyl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 20782294
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 94918055
N-phenyl-N-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]propanamide
CID 90349844
2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 63388486
N-cyclopropyl-2-[4-[methyl-[(4-phenylphenyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 20782512
1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782268
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782228
N,2,2-trimethyl-N-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]propanamide
CID 171702181
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The IUPAC name of 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea (CID 20782286) is 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The canonical SMILES for 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea is CN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
The InChIKey is SGOAWEDGUSDJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O/c1-31(24(33)30-20-11-9-19(10-12-20)18-6-3-2-4-7-18)21-13-16-32(17-14-21)23-22(25(26,27)28)8-5-15-29-23/h2-12,15,21H,13-14,16-17H2,1H3,(H,30,33).
What are the key properties of 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea?
1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea has a molecular weight of 454.50 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylphenyl)-1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]urea is sourced from PubChem (CID 20782286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).