5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide

C15H17F3N2O4 — CID 21243520

IUPAC5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCN1CCCCC1=O)c1cc(O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)8-24-12-5-4-10(21)7-11(12)14(23)19-9-20-6-2-1-3-13(20)22/h4-5,7,21H,1-3,6,8-9H2,(H,19,23)
InChIKeyUKWSSAJVDTZKJW-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.03
Rot. Bonds5

About 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide

5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 21243520) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID21243520
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCN1CCCCC1=O)c1cc(O)ccc1OCC(F)(F)F
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)8-24-12-5-4-10(21)7-11(12)14(23)19-9-20-6-2-1-3-13(20)22/h4-5,7,21H,1-3,6,8-9H2,(H,19,23)
InChIKeyUKWSSAJVDTZKJW-UHFFFAOYSA-N
XLogP2.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-hydroxy-N-[(2-oxopiperidin-1-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

5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
1-[(2-oxoazepan-1-yl)methyl]-3-[(2-oxopyrrolidin-1-yl)methyl]urea
CID 23348612
1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617
4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
CID 166611037
2-(2-oxopyrrolidin-1-yl)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343154
4-chloro-2-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46521635
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3782425
4-(2-oxopiperidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 33372865
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599
1,1,1-trifluoro-N-[4-hydroxy-2-[(2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
CID 177393192
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 90650316
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide (CID 21243520) is 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide is O=C(NCN1CCCCC1=O)c1cc(O)ccc1OCC(F)(F)F.
What is the InChIKey of 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is UKWSSAJVDTZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c16-15(17,18)8-24-12-5-4-10(21)7-11(12)14(23)19-9-20-6-2-1-3-13(20)22/h4-5,7,21H,1-3,6,8-9H2,(H,19,23).
What are the key properties of 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide?
5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 346.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(2-oxopiperidin-1-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 21243520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).