2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide

C26H23F3N4O3 — CID 175205116

IUPAC2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide
SMILESNC(=O)c1cccc(-c2ccccc2)c1N1CCCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)17-11-13-18(14-12-17)31-25(36)32-21-10-5-15-33(24(21)35)22-19(16-6-2-1-3-7-16)8-4-9-20(22)23(30)34/h1-4,6-9,11-14,21H,5,10,15H2,(H2,30,34)(H2,31,32,36)
InChIKeyXWYNJLFQQKQCAJ-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.79
Rot. Bonds5

About 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide

2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide (PubChem CID 175205116) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide.

Molecular Properties

Compound Name2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide
PubChem CID175205116
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Name2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide
SMILESNC(=O)c1cccc(-c2ccccc2)c1N1CCCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)17-11-13-18(14-12-17)31-25(36)32-21-10-5-15-33(24(21)35)22-19(16-6-2-1-3-7-16)8-4-9-20(22)23(30)34/h1-4,6-9,11-14,21H,5,10,15H2,(H2,30,34)(H2,31,32,36)
InChIKeyXWYNJLFQQKQCAJ-UHFFFAOYSA-N
XLogP4.79
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dimethyl-4-phenylphenyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea;formamide
CID 175010398
N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide
CID 175010397
1-[(3R)-2-oxo-1-[4-[2-(trifluoromethoxy)phenyl]phenyl]piperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226612
1-[(3R)-1-[4-[2-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226953
2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide
CID 129226922
1-[(3R)-1-[4-(6-fluoro-2-pyridinyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 142493644
1-[(3R)-1-[4-(3-hydroxypiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971350
1-[(3R)-1-[4-[2-(methylsulfanylamino)-3-pyridinyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 166854887
1-[(3R)-1-[4-[2-(2-methylpropylsulfonylamino)phenyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129226617
1-[(3R)-1-[4-(4-fluoro-2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129227181
1-[(3R)-1-[4-[2-[methyl(methylsulfonyl)amino]-3-pyridinyl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 146520329
1-[(3R)-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971437

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide?
The IUPAC name of 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide (CID 175205116) is 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide.
What is the SMILES notation for 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide?
The canonical SMILES for 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide is NC(=O)c1cccc(-c2ccccc2)c1N1CCCC(NC(=O)Nc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide?
The InChIKey is XWYNJLFQQKQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)17-11-13-18(14-12-17)31-25(36)32-21-10-5-15-33(24(21)35)22-19(16-6-2-1-3-7-16)8-4-9-20(22)23(30)34/h1-4,6-9,11-14,21H,5,10,15H2,(H2,30,34)(H2,31,32,36).
What are the key properties of 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide?
2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide has a molecular weight of 496.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-3-phenylbenzamide is sourced from PubChem (CID 175205116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).