N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide

C9H15F3N2O — CID 178143268

IUPACN-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6(15)14-8(2)3-4-13-7(5-8)9(10,11)12/h7,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyXCJCKXHYFZWVQA-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.20
Rot. Bonds1

About N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide

N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide (PubChem CID 178143268) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide
PubChem CID178143268
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1(C)CCNC(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-6(15)14-8(2)3-4-13-7(5-8)9(10,11)12/h7,13H,3-5H2,1-2H3,(H,14,15)
InChIKeyXCJCKXHYFZWVQA-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 59134556
N-(3-methylazepan-3-yl)acetamide
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N-(4-methylpiperidin-4-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
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N-(1-methyl-4-propan-2-ylcyclohexyl)acetamide
CID 146393556
N-(4-methylpiperidin-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114696233
3,3-difluoro-N-(3-methylpyrrolidin-3-yl)butanamide
CID 130628505
N-[(2R,4R)-2-(4-bromophenyl)-4-methyloxan-4-yl]acetamide
CID 53381425
benzyl 4-acetamido-4-methyl-2-(trifluoromethyl)piperidine-1-carboxylate
CID 178143328
N-[(1S,3S)-3-acetamido-5-methyl-1-adamantyl]acetamide
CID 98105097
(4-methylpiperidin-4-yl)carbamic acid;hydrochloride
CID 121334668
5-methyl-N-(4-methylpiperidin-4-yl)oxolane-3-carboxamide
CID 114826489
N-(3-methylthiolan-3-yl)acetamide
CID 129016909

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide (CID 178143268) is N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide is CC(=O)NC1(C)CCNC(C(F)(F)F)C1.
What is the InChIKey of N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide?
The InChIKey is XCJCKXHYFZWVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6(15)14-8(2)3-4-13-7(5-8)9(10,11)12/h7,13H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide?
N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(trifluoromethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 178143268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).