[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid

C22H23F3N2O3 — CID 146224363

IUPAC[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-19(26-21(29)30)20(28)27-12-2-1-3-13-27/h4-11,19,26H,1-3,12-14H2,(H,29,30)/t19-/m1/s1
InChIKeyUIMMCRNFCBCRPL-LJQANCHMSA-N
MW420.43 g/mol
LogP4.56
Rot. Bonds5

About [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid

[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid (PubChem CID 146224363) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid
PubChem CID146224363
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Name[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C22H23F3N2O3/c23-22(24,25)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-19(26-21(29)30)20(28)27-12-2-1-3-13-27/h4-11,19,26H,1-3,12-14H2,(H,29,30)/t19-/m1/s1
InChIKeyUIMMCRNFCBCRPL-LJQANCHMSA-N
XLogP4.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid (CID 146224363) is [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid is O=C(O)N[C@H](Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)N1CCCCC1.
What is the InChIKey of [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid?
The InChIKey is UIMMCRNFCBCRPL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c23-22(24,25)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-19(26-21(29)30)20(28)27-12-2-1-3-13-27/h4-11,19,26H,1-3,12-14H2,(H,29,30)/t19-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid?
[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid has a molecular weight of 420.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid is sourced from PubChem (CID 146224363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).