N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C22H24F3N3O3 — CID 24791223

IUPACN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccnc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C22H24F3N3O3/c1-27(14-18-11-19(31-2)8-9-26-18)21(30)16-6-7-20(29)28(13-16)12-15-4-3-5-17(10-15)22(23,24)25/h3-5,8-11,16H,6-7,12-14H2,1-2H3
InChIKeyDAQBCEGPBFJYHX-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.51
Rot. Bonds6

About N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24791223) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24791223
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC NameN-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1ccnc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1
InChIInChI=1S/C22H24F3N3O3/c1-27(14-18-11-19(31-2)8-9-26-18)21(30)16-6-7-20(29)28(13-16)12-15-4-3-5-17(10-15)22(23,24)25/h3-5,8-11,16H,6-7,12-14H2,1-2H3
InChIKeyDAQBCEGPBFJYHX-UHFFFAOYSA-N
XLogP3.51
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902
1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791442
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 45184872
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47039377
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
(3S)-N-(2-methoxyethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25453547
(5R)-5-(azepane-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 42593464
(3S)-N-cyclopropyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25374926
N-cyclohexyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791142
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
(3R)-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 42097750
(3S)-6-oxo-N-prop-2-enyl-N-prop-2-ynyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 42463294

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24791223) is N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is COc1ccnc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)c1.
What is the InChIKey of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is DAQBCEGPBFJYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-27(14-18-11-19(31-2)8-9-26-18)21(30)16-6-7-20(29)28(13-16)12-15-4-3-5-17(10-15)22(23,24)25/h3-5,8-11,16H,6-7,12-14H2,1-2H3.
What are the key properties of N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).