2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide

C16H21F3N2O2 — CID 171337818

IUPAC2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOC1(C(F)(F)F)CCN(CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-12-3-5-13(6-4-12)20-14(22)11-21-9-7-15(23-2,8-10-21)16(17,18)19/h3-6H,7-11H2,1-2H3,(H,20,22)
InChIKeyUMFCMIHLFVRYMN-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.98
Rot. Bonds4

About 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 171337818) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID171337818
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOC1(C(F)(F)F)CCN(CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H21F3N2O2/c1-12-3-5-13(6-4-12)20-14(22)11-21-9-7-15(23-2,8-10-21)16(17,18)19/h3-6H,7-11H2,1-2H3,(H,20,22)
InChIKeyUMFCMIHLFVRYMN-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-3-(trifluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171704530
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 115305331
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(2,3-dichlorophenyl)-2-[3-methoxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 172904027
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 80702513
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide (CID 171337818) is 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide is COC1(C(F)(F)F)CCN(CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is UMFCMIHLFVRYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-12-3-5-13(6-4-12)20-14(22)11-21-9-7-15(23-2,8-10-21)16(17,18)19/h3-6H,7-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-4-(trifluoromethyl)piperidin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 171337818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).