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

C14H18F3N3O2 — CID 89246215

IUPAC3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
SMILESCN1CCC(NC(=O)c2c(C(F)(F)F)ccc(N)c2O)CC1
InChIInChI=1S/C14H18F3N3O2/c1-20-6-4-8(5-7-20)19-13(22)11-9(14(15,16)17)2-3-10(18)12(11)21/h2-3,8,21H,4-7,18H2,1H3,(H,19,22)
InChIKeyYASGMHWBLZFZEM-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.82
Rot. Bonds2

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

3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide (PubChem CID 89246215) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
PubChem CID89246215
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide
SMILESCN1CCC(NC(=O)c2c(C(F)(F)F)ccc(N)c2O)CC1
InChIInChI=1S/C14H18F3N3O2/c1-20-6-4-8(5-7-20)19-13(22)11-9(14(15,16)17)2-3-10(18)12(11)21/h2-3,8,21H,4-7,18H2,1H3,(H,19,22)
InChIKeyYASGMHWBLZFZEM-UHFFFAOYSA-N
XLogP1.82
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
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-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide (CID 89246215) is 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide is CN1CCC(NC(=O)c2c(C(F)(F)F)ccc(N)c2O)CC1.
What is the InChIKey of 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
The InChIKey is YASGMHWBLZFZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-20-6-4-8(5-7-20)19-13(22)11-9(14(15,16)17)2-3-10(18)12(11)21/h2-3,8,21H,4-7,18H2,1H3,(H,19,22).
What are the key properties of 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide?
3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-(1-methylpiperidin-4-yl)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 89246215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).