2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

C28H28F6N4O2 — CID 90012791

IUPAC2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(CC2CCNCC2)cc1)C(F)(F)F.O=C(Nc1ccc(Cc2ccncc2)cc1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O.C14H11F3N2O/c2*15-14(16,17)13(20)19-12-3-1-10(2-4-12)9-11-5-7-18-8-6-11/h1-4,11,18H,5-9H2,(H,19,20);1-8H,9H2,(H,19,20)
InChIKeyQTEPJJZPADQFPL-UHFFFAOYSA-N
MW566.55 g/mol
LogP5.90
Rot. Bonds6

About 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (PubChem CID 90012791) has the molecular formula C28H28F6N4O2 and a molecular weight of 566.55 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
PubChem CID90012791
Molecular FormulaC28H28F6N4O2
Molecular Weight566.55 g/mol
Exact Mass566.21
IUPAC Name2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(CC2CCNCC2)cc1)C(F)(F)F.O=C(Nc1ccc(Cc2ccncc2)cc1)C(F)(F)F
InChIInChI=1S/C14H17F3N2O.C14H11F3N2O/c2*15-14(16,17)13(20)19-12-3-1-10(2-4-12)9-11-5-7-18-8-6-11/h1-4,11,18H,5-9H2,(H,19,20);1-8H,9H2,(H,19,20)
InChIKeyQTEPJJZPADQFPL-UHFFFAOYSA-N
XLogP5.90
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.55
LogP ≤ 55.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-[4-(piperidin-4-ylmethyl)phenyl]oxolane-2-carboxamide
CID 82260254
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2,2,2-trifluoroethyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate
CID 47092192
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119828990
N-[4-(piperidin-4-ylmethyl)phenyl]-3-pyridazin-3-ylazetidine-1-carboxamide
CID 90011159
1-[2-(4-tert-butyl-2-methylphenyl)pyrazol-3-yl]-3-[4-(piperidin-4-ylmethyl)phenyl]urea
CID 68825389
trans-(1S,2S)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40611123

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide (CID 90012791) is 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is O=C(Nc1ccc(CC2CCNCC2)cc1)C(F)(F)F.O=C(Nc1ccc(Cc2ccncc2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
The InChIKey is QTEPJJZPADQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.C14H11F3N2O/c2*15-14(16,17)13(20)19-12-3-1-10(2-4-12)9-11-5-7-18-8-6-11/h1-4,11,18H,5-9H2,(H,19,20);1-8H,9H2,(H,19,20).
What are the key properties of 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide has a molecular weight of 566.55 g/mol, XLogP of 5.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(piperidin-4-ylmethyl)phenyl]acetamide;2,2,2-trifluoro-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 90012791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).