3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide

C17H21F3N2O3 — CID 108556215

IUPAC3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O3/c1-25-11-8-15(23)21-12-6-9-22(10-7-12)16(24)13-4-2-3-5-14(13)17(18,19)20/h2-5,12H,6-11H2,1H3,(H,21,23)
InChIKeyXLZHOJWGNPDZFJ-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.46
Rot. Bonds5

About 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide

3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide (PubChem CID 108556215) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
PubChem CID108556215
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
SMILESCOCCC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O3/c1-25-11-8-15(23)21-12-6-9-22(10-7-12)16(24)13-4-2-3-5-14(13)17(18,19)20/h2-5,12H,6-11H2,1H3,(H,21,23)
InChIKeyXLZHOJWGNPDZFJ-UHFFFAOYSA-N
XLogP2.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-oxo-3-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]propyl]carbamate
CID 108548270
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-methoxypropanamide
CID 108562171
N-methyl-N-[2-oxo-2-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]amino]ethyl]prop-2-enamide
CID 166406699
prop-2-enyl N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]carbamate
CID 108566004
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
N-[1-(2-iodobenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557706
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide (CID 108556215) is 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide is COCCC(=O)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
The InChIKey is XLZHOJWGNPDZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-25-11-8-15(23)21-12-6-9-22(10-7-12)16(24)13-4-2-3-5-14(13)17(18,19)20/h2-5,12H,6-11H2,1H3,(H,21,23).
What are the key properties of 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide?
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide has a molecular weight of 358.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108556215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).