N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C25H28ClF3N2O2 — CID 24758522

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClF3N2O2/c1-16(2)23(30-22(32)15-17-3-7-20(8-4-17)25(27,28)29)24(33)31-13-11-19(12-14-31)18-5-9-21(26)10-6-18/h3-10,16,19,23H,11-15H2,1-2H3,(H,30,32)/t23-/m1/s1
InChIKeyGXUNSRNNIBNEBV-HSZRJFAPSA-N
MW480.96 g/mol
LogP5.45
Rot. Bonds6

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 24758522) has the molecular formula C25H28ClF3N2O2 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID24758522
Molecular FormulaC25H28ClF3N2O2
Molecular Weight480.96 g/mol
Exact Mass480.18
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClF3N2O2/c1-16(2)23(30-22(32)15-17-3-7-20(8-4-17)25(27,28)29)24(33)31-13-11-19(12-14-31)18-5-9-21(26)10-6-18/h3-10,16,19,23H,11-15H2,1-2H3,(H,30,32)/t23-/m1/s1
InChIKeyGXUNSRNNIBNEBV-HSZRJFAPSA-N
XLogP5.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 24758522) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GXUNSRNNIBNEBV-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28ClF3N2O2/c1-16(2)23(30-22(32)15-17-3-7-20(8-4-17)25(27,28)29)24(33)31-13-11-19(12-14-31)18-5-9-21(26)10-6-18/h3-10,16,19,23H,11-15H2,1-2H3,(H,30,32)/t23-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 480.96 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24758522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).