3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide

C15H20F3N3O2 — CID 59675633

IUPAC3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
SMILESCN1CCC(N(C)C(=O)c2c(C(F)(F)F)ccc(N)c2O)CC1
InChIInChI=1S/C15H20F3N3O2/c1-20-7-5-9(6-8-20)21(2)14(23)12-10(15(16,17)18)3-4-11(19)13(12)22/h3-4,9,22H,5-8,19H2,1-2H3
InChIKeyPYIOZUWOCZZYHB-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.16
Rot. Bonds2

About 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide

3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide (PubChem CID 59675633) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
PubChem CID59675633
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
SMILESCN1CCC(N(C)C(=O)c2c(C(F)(F)F)ccc(N)c2O)CC1
InChIInChI=1S/C15H20F3N3O2/c1-20-7-5-9(6-8-20)21(2)14(23)12-10(15(16,17)18)3-4-11(19)13(12)22/h3-4,9,22H,5-8,19H2,1-2H3
InChIKeyPYIOZUWOCZZYHB-UHFFFAOYSA-N
XLogP2.16
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide (CID 59675633) is 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide is CN1CCC(N(C)C(=O)c2c(C(F)(F)F)ccc(N)c2O)CC1.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The InChIKey is PYIOZUWOCZZYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-20-7-5-9(6-8-20)21(2)14(23)12-10(15(16,17)18)3-4-11(19)13(12)22/h3-4,9,22H,5-8,19H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide has a molecular weight of 331.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 59675633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).