2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide

C13H14F4N2O — CID 97184037

IUPAC2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
SMILESO=C(N[C@H]1CNCC[C@H]1c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C13H14F4N2O/c14-9-3-1-8(2-4-9)10-5-6-18-7-11(10)19-12(20)13(15,16)17/h1-4,10-11,18H,5-7H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyGDSMJJCNVKNHJH-QWRGUYRKSA-N
MW290.26 g/mol
LogP1.95
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide

2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide (PubChem CID 97184037) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
PubChem CID97184037
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
SMILESO=C(N[C@H]1CNCC[C@H]1c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C13H14F4N2O/c14-9-3-1-8(2-4-9)10-5-6-18-7-11(10)19-12(20)13(15,16)17/h1-4,10-11,18H,5-7H2,(H,19,20)/t10-,11-/m0/s1
InChIKeyGDSMJJCNVKNHJH-QWRGUYRKSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-(4-fluorophenyl)piperidin-3-yl]carbamate
CID 122360424
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(2-hydroxyacetyl)piperidin-3-yl]acetamide
CID 84597675
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]urea
CID 167981275
N-[4-(3-fluorophenyl)piperidin-3-yl]-2-methylprop-2-enamide
CID 165440649
N-[(3S,4S)-1-(2-cyanoethyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 129379016
N-[(3S,4R)-3-(4-fluorophenyl)piperidin-4-yl]-4-methyl-3-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 156696017
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(5-methylpyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133440290
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)piperidin-3-yl]carbamate
CID 140853603
tert-butyl N-[(3R)-4-[4-(hydroxymethyl)phenyl]piperidin-3-yl]carbamate
CID 134359003
N-[1-(5-bromo-2-pyridinyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440255
N-[1-(2-acetyl-3-fluorophenyl)-4-(4-fluorophenyl)piperidin-3-yl]-2,2,2-trifluoroacetamide
CID 133440232

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide (CID 97184037) is 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide is O=C(N[C@H]1CNCC[C@H]1c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide?
The InChIKey is GDSMJJCNVKNHJH-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-9-3-1-8(2-4-9)10-5-6-18-7-11(10)19-12(20)13(15,16)17/h1-4,10-11,18H,5-7H2,(H,19,20)/t10-,11-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide has a molecular weight of 290.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 97184037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).