2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

C14H16F4N2O — CID 126711751

IUPAC2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H16F4N2O/c15-11-3-1-10(2-4-11)9-20-7-5-12(6-8-20)19-13(21)14(16,17)18/h1-4,12H,5-9H2,(H,19,21)
InChIKeyGALFOWIYFNMPEB-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.47
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 126711751) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID126711751
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)C(F)(F)F
InChIInChI=1S/C14H16F4N2O/c15-11-3-1-10(2-4-11)9-20-7-5-12(6-8-20)19-13(21)14(16,17)18/h1-4,12H,5-9H2,(H,19,21)
InChIKeyGALFOWIYFNMPEB-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide (CID 126711751) is 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is GALFOWIYFNMPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-11-3-1-10(2-4-11)9-20-7-5-12(6-8-20)19-13(21)14(16,17)18/h1-4,12H,5-9H2,(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 304.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 126711751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).