2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide

C15H17F3N2O2 — CID 108501324

IUPAC2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H17F3N2O2/c1-10-5-7-20(8-6-10)14(22)13(21)19-12-4-2-3-11(9-12)15(16,17)18/h2-4,9-10H,5-8H2,1H3,(H,19,21)
InChIKeyVZZRGGCNPSYDNX-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.90
Rot. Bonds1

About 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 108501324) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID108501324
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H17F3N2O2/c1-10-5-7-20(8-6-10)14(22)13(21)19-12-4-2-3-11(9-12)15(16,17)18/h2-4,9-10H,5-8H2,1H3,(H,19,21)
InChIKeyVZZRGGCNPSYDNX-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108992236
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501448
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109205195
3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54842854
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 20911382
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide (CID 108501324) is 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide is CC1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VZZRGGCNPSYDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10-5-7-20(8-6-10)14(22)13(21)19-12-4-2-3-11(9-12)15(16,17)18/h2-4,9-10H,5-8H2,1H3,(H,19,21).
What are the key properties of 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108501324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).