1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C23H25F3N2O3 — CID 24791595

IUPAC1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)c1
InChIInChI=1S/C23H25F3N2O3/c1-31-19-7-4-5-16(13-19)14-28-15-18(9-10-21(28)29)22(30)27-12-11-17-6-2-3-8-20(17)23(24,25)26/h2-8,13,18H,9-12,14-15H2,1H3,(H,27,30)
InChIKeyDHGOLSGHLXLEAM-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.81
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 24791595) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID24791595
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCOc1cccc(CN2CC(C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)c1
InChIInChI=1S/C23H25F3N2O3/c1-31-19-7-4-5-16(13-19)14-28-15-18(9-10-21(28)29)22(30)27-12-11-17-6-2-3-8-20(17)23(24,25)26/h2-8,13,18H,9-12,14-15H2,1H3,(H,27,30)
InChIKeyDHGOLSGHLXLEAM-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 42591861
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45187533
(3R)-1-[(3-methoxyphenyl)methyl]-N-[2-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42515969
(3S)-N-(2-methoxyethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25453547
(3R)-1-[(3-methoxyphenyl)methyl]-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 136748664
(3R)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97150495
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
(3R)-1-[(3-fluorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42591232
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183927
6-oxo-N-[2-(2-oxopiperidin-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 45222312
6-oxo-N-[2-(1,3-thiazol-4-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 45220338

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 24791595) is 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is COc1cccc(CN2CC(C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is DHGOLSGHLXLEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-31-19-7-4-5-16(13-19)14-28-15-18(9-10-21(28)29)22(30)27-12-11-17-6-2-3-8-20(17)23(24,25)26/h2-8,13,18H,9-12,14-15H2,1H3,(H,27,30).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).