4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

C23H27F3N2O2 — CID 3795149

IUPAC4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-3-16(2)30-19-10-7-17(8-11-19)22(29)27-20-15-18(23(24,25)26)9-12-21(20)28-13-5-4-6-14-28/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,27,29)
InChIKeyYSQQOAODVBWKPF-UHFFFAOYSA-N
MW420.48 g/mol
LogP6.13
Rot. Bonds6

About 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 3795149) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID3795149
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1
InChIInChI=1S/C23H27F3N2O2/c1-3-16(2)30-19-10-7-17(8-11-19)22(29)27-20-15-18(23(24,25)26)9-12-21(20)28-13-5-4-6-14-28/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,27,29)
InChIKeyYSQQOAODVBWKPF-UHFFFAOYSA-N
XLogP6.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598
4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1395997
4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
4-(2-methylpropoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3500229
3-bromo-4-ethoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2067330
1-acetyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 52533407
2-(4-butan-2-ylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 22777363
4-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1421990

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide (CID 3795149) is 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is CCC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YSQQOAODVBWKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-3-16(2)30-19-10-7-17(8-11-19)22(29)27-20-15-18(23(24,25)26)9-12-21(20)28-13-5-4-6-14-28/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,27,29).
What are the key properties of 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide?
4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 420.48 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 3795149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).