2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid

C20H25F3N4O2 — CID 118030505

IUPAC2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid
SMILESCC(C)(CCC1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O
InChIInChI=1S/C20H25F3N4O2/c1-19(2,18(28)29)8-5-13-6-9-27(10-7-13)16-4-3-14(11-24-16)17-25-12-15(26-17)20(21,22)23/h3-4,11-13H,5-10H2,1-2H3,(H,25,26)(H,28,29)
InChIKeyHVKLCJHYUYADNE-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.60
Rot. Bonds6

About 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid

2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid (PubChem CID 118030505) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid
PubChem CID118030505
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid
SMILESCC(C)(CCC1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O
InChIInChI=1S/C20H25F3N4O2/c1-19(2,18(28)29)8-5-13-6-9-27(10-7-13)16-4-3-14(11-24-16)17-25-12-15(26-17)20(21,22)23/h3-4,11-13H,5-10H2,1-2H3,(H,25,26)(H,28,29)
InChIKeyHVKLCJHYUYADNE-UHFFFAOYSA-N
XLogP4.60
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic 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 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid (CID 118030505) is 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid is CC(C)(CCC1CCN(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid?
The InChIKey is HVKLCJHYUYADNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-19(2,18(28)29)8-5-13-6-9-27(10-7-13)16-4-3-14(11-24-16)17-25-12-15(26-17)20(21,22)23/h3-4,11-13H,5-10H2,1-2H3,(H,25,26)(H,28,29).
What are the key properties of 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid?
2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid has a molecular weight of 410.44 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 118030505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).