[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C23H25F3N2O4 — CID 55416999

IUPAC[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCC(OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25F3N2O4/c1-16(32-21(30)15-28-14-19(23(24,25)26)7-8-20(28)29)22(31)27-11-9-18(10-12-27)13-17-5-3-2-4-6-17/h2-8,14,16,18H,9-13,15H2,1H3
InChIKeyVBWAFKRWTXFAKG-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.28
Rot. Bonds6

About [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 55416999) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Name[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID55416999
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCC(OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H25F3N2O4/c1-16(32-21(30)15-28-14-19(23(24,25)26)7-8-20(28)29)22(31)27-11-9-18(10-12-27)13-17-5-3-2-4-6-17/h2-8,14,16,18H,9-13,15H2,1H3
InChIKeyVBWAFKRWTXFAKG-UHFFFAOYSA-N
XLogP3.28
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate with MolForge

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Related Compounds

Ethyl (4-benzylpiperidin-1-yl)(oxo)acetate
CID 3912049
Methyl 2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetate
CID 46086686
Ethyl 2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]acetate
CID 46086687
[2-Oxo-2-[4-[2-oxo-2-[3-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]ethyl] acetate
CID 56588497
[4-(4-Fluoro-benzyl)-piperidin-1-yl]-oxo-acetic acid ethyl ester
CID 46086681
[(2S)-1-oxo-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]propan-2-yl] acetate
CID 46089285
Ethyl 2-oxo-2-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)acetate
CID 118872369
ethyl 4-[(3Z)-4-methylidene-3-[(E)-3-[3-(trifluoromethyl)phenyl]but-2-enylidene]cyclohexa-1,5-diene-1-carbonyl]morpholine-2-carboxylate
CID 143133255
4-[(4-Benzylpiperidin-1-yl)methyl]-1-(cyclohexa-1,5-dien-1-ylmethyl)-3-hydroxypyridin-2-one;2,2,2-trifluoroacetic acid
CID 156843874
2,2,2-trifluoroethyl 2-[(2S,6S)-2-methyl-6-phenylpiperidin-1-yl]-2-oxoacetate
CID 164751114
2,2,2-Trifluoroethyl 2-(2,3-dimethyl-6-phenylpiperidin-1-yl)-2-oxoacetate
CID 164751310
2,2,2-Trifluoroethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164753686

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 55416999) is [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is CC(OC(=O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is VBWAFKRWTXFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-16(32-21(30)15-28-14-19(23(24,25)26)7-8-20(28)29)22(31)27-11-9-18(10-12-27)13-17-5-3-2-4-6-17/h2-8,14,16,18H,9-13,15H2,1H3.
What are the key properties of [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 450.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 55416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).