2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

C16H19F3N2O2 — CID 56793953

IUPAC2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C16H19F3N2O2/c1-10(15(23)21-13-6-7-14(22)20-9-13)8-11-2-4-12(5-3-11)16(17,18)19/h2-5,10,13H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeySJQICZYQJCBHOY-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 56793953) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID56793953
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(=O)NC1
InChIInChI=1S/C16H19F3N2O2/c1-10(15(23)21-13-6-7-14(22)20-9-13)8-11-2-4-12(5-3-11)16(17,18)19/h2-5,10,13H,6-9H2,1H3,(H,20,22)(H,21,23)
InChIKeySJQICZYQJCBHOY-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 120575190
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 120943626
(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 130342962
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119613879
(3R)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]-6-oxopiperidine-3-carboxamide
CID 100656643
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
2-methyl-1-[4-(methylamino)piperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 119560684
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119613878
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-(3-aminobutyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119495884
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
2-(4-acetamidophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62898113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 56793953) is 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is CC(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1CCC(=O)NC1.
What is the InChIKey of 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SJQICZYQJCBHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-10(15(23)21-13-6-7-14(22)20-9-13)8-11-2-4-12(5-3-11)16(17,18)19/h2-5,10,13H,6-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 328.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxopiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 56793953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).