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

C26H23F3N4O3 — CID 129226622

IUPAC2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
InChIKeyPURUWPLYNJDKEY-JOCHJYFZSA-N
MW496.49 g/mol
LogP4.79
Rot. Bonds5

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

2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide (PubChem CID 129226622) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide
PubChem CID129226622
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC Name2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1
InChIKeyPURUWPLYNJDKEY-JOCHJYFZSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide?
The IUPAC name of 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide (CID 129226622) is 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide is NC(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide?
The InChIKey is PURUWPLYNJDKEY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c27-26(28,29)17-9-11-18(12-10-17)31-25(36)32-22-6-3-15-33(24(22)35)19-13-7-16(8-14-19)20-4-1-2-5-21(20)23(30)34/h1-2,4-5,7-14,22H,3,6,15H2,(H2,30,34)(H2,31,32,36)/t22-/m1/s1.
What are the key properties of 2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide?
2-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide 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-[4-[(3R)-2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 129226622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).