5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide

C15H19F3N2O3 — CID 40582614

IUPAC5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NC[C@@H]1CCCCN1)c1cc(O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h4-5,7,10,19,21H,1-3,6,8-9H2,(H,20,22)/t10-/m0/s1
InChIKeyFVJPPEWHZCSTAC-JTQLQIEISA-N
MW332.32 g/mol
LogP2.21
Rot. Bonds5

About 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide

5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 40582614) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID40582614
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NC[C@@H]1CCCCN1)c1cc(O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h4-5,7,10,19,21H,1-3,6,8-9H2,(H,20,22)/t10-/m0/s1
InChIKeyFVJPPEWHZCSTAC-JTQLQIEISA-N
XLogP2.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)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

N-(piperidin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide;hydrobromide
CID 11705938
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940
[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenyl] acetate
CID 70515248
acetic acid;N-[[(2R)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 73416119
5-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055932
5-[3-(piperidin-2-ylmethylcarbamoyl)-4-(2,2,2-trifluoroethoxy)phenoxy]pentanoic acid;hydrochloride
CID 23035281
2-(3-phenoxypropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide
CID 15055945
N-(piperidin-2-ylmethyl)-2-(2-piperidin-1-yloxyethoxy)-5-(2,2,2-trifluoroethoxy)benzamide
CID 70374449
2-(3-phenylpropoxy)-N-(piperidin-2-ylmethyl)-5-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 23035302
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]-(piperidin-2-ylmethyl)azanium
CID 3355
N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 106633280

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide (CID 40582614) is 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide is O=C(NC[C@@H]1CCCCN1)c1cc(O)ccc1OCC(F)(F)F.
What is the InChIKey of 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is FVJPPEWHZCSTAC-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h4-5,7,10,19,21H,1-3,6,8-9H2,(H,20,22)/t10-/m0/s1.
What are the key properties of 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 332.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[(2S)-piperidin-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 40582614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).