3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide

C16H19F3N2O2 — CID 108952355

IUPAC3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCN(C(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H19F3N2O2/c1-11-4-3-7-21(10-11)15(23)9-14(22)20-13-6-2-5-12(8-13)16(17,18)19/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,20,22)
InChIKeyCASKQYOCDQTLAR-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.29
Rot. Bonds3

About 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide

3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 108952355) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID108952355
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCN(C(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H19F3N2O2/c1-11-4-3-7-21(10-11)15(23)9-14(22)20-13-6-2-5-12(8-13)16(17,18)19/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,20,22)
InChIKeyCASKQYOCDQTLAR-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-(3,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952396
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
N-(2,6-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952397
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
1-(3-methylpiperidin-1-yl)-2-[[4-methyl-5-[[3-(trifluoromethyl)anilino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3807983

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide (CID 108952355) is 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide is CC1CCCN(C(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CASKQYOCDQTLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c1-11-4-3-7-21(10-11)15(23)9-14(22)20-13-6-2-5-12(8-13)16(17,18)19/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,20,22).
What are the key properties of 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 328.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 108952355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).