3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide

C17H21F3N2O5 — CID 108549268

IUPAC3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc(OC)c1OC
InChIInChI=1S/C17H21F3N2O5/c1-25-12-8-10(9-13(26-2)14(12)27-3)15(23)21-11-4-6-22(7-5-11)16(24)17(18,19)20/h8-9,11H,4-7H2,1-3H3,(H,21,23)
InChIKeyOQTNUYPAFSYJRI-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.00
Rot. Bonds5

About 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide

3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (PubChem CID 108549268) has the molecular formula C17H21F3N2O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
PubChem CID108549268
Molecular FormulaC17H21F3N2O5
Molecular Weight390.36 g/mol
Exact Mass390.14
IUPAC Name3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc(OC)c1OC
InChIInChI=1S/C17H21F3N2O5/c1-25-12-8-10(9-13(26-2)14(12)27-3)15(23)21-11-4-6-22(7-5-11)16(24)17(18,19)20/h8-9,11H,4-7H2,1-3H3,(H,21,23)
InChIKeyOQTNUYPAFSYJRI-UHFFFAOYSA-N
XLogP2.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
3,4,5-trimethoxy-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
CID 7120710
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide (CID 108549268) is 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is COc1cc(C(=O)NC2CCN(C(=O)C(F)(F)F)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
The InChIKey is OQTNUYPAFSYJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O5/c1-25-12-8-10(9-13(26-2)14(12)27-3)15(23)21-11-4-6-22(7-5-11)16(24)17(18,19)20/h8-9,11H,4-7H2,1-3H3,(H,21,23).
What are the key properties of 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide?
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide has a molecular weight of 390.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).