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

C17H21F3N2O3 — CID 25378624

IUPAC(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)CCC1=O
InChIInChI=1S/C17H21F3N2O3/c1-25-9-8-22-11-13(6-7-15(22)23)16(24)21-10-12-4-2-3-5-14(12)17(18,19)20/h2-5,13H,6-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyKPIMJDYEOJAEMB-ZDUSSCGKSA-N
MW358.36 g/mol
LogP2.21
Rot. Bonds6

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

(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 25378624) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID25378624
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCCN1C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)CCC1=O
InChIInChI=1S/C17H21F3N2O3/c1-25-9-8-22-11-13(6-7-15(22)23)16(24)21-10-12-4-2-3-5-14(12)17(18,19)20/h2-5,13H,6-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyKPIMJDYEOJAEMB-ZDUSSCGKSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 56700684
(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42213070
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 42591861
1-cycloheptyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24816652
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237
(3S)-N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26399073
1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 24791595
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45222675
(3R)-N-[(2-chlorophenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25460654
(3R)-1-(2-methoxyethyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 25277248
(3S)-1-(2-methoxyethyl)-6-oxo-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 26316413

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 25378624) is (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is COCCN1C[C@@H](C(=O)NCc2ccccc2C(F)(F)F)CCC1=O.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is KPIMJDYEOJAEMB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-25-9-8-22-11-13(6-7-15(22)23)16(24)21-10-12-4-2-3-5-14(12)17(18,19)20/h2-5,13H,6-11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 25378624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).