N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C28H35ClF3N3O5 — CID 155511948

IUPACN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H34ClN3O3.C2HF3O2/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19;3-2(4,5)1(6)7/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32);(H,6,7)/t26-;/m0./s1
InChIKeyCJOJLASPZOBDRI-SNYZSRNZSA-N
MW586.05 g/mol
LogP5.03
Rot. Bonds5

About N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155511948) has the molecular formula C28H35ClF3N3O5 and a molecular weight of 586.05 g/mol. Its IUPAC name is N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155511948
Molecular FormulaC28H35ClF3N3O5
Molecular Weight586.05 g/mol
Exact Mass585.22
IUPAC NameN-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H34ClN3O3.C2HF3O2/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19;3-2(4,5)1(6)7/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32);(H,6,7)/t26-;/m0./s1
InChIKeyCJOJLASPZOBDRI-SNYZSRNZSA-N
XLogP5.03
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.05
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155511948) is N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(C)c(C(=O)NC(C)(C)CC(=O)N2CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CJOJLASPZOBDRI-SNYZSRNZSA-N. The full InChI is InChI=1S/C26H34ClN3O3.C2HF3O2/c1-17-13-18(2)28-15-21(17)23(32)29-25(5,6)14-22(31)30-12-11-26(33,24(3,4)16-30)19-7-9-20(27)10-8-19;3-2(4,5)1(6)7/h7-10,13,15,33H,11-12,14,16H2,1-6H3,(H,29,32);(H,6,7)/t26-;/m0./s1.
What are the key properties of N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 586.05 g/mol, XLogP of 5.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]-4,6-dimethylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155511948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).