(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C24H27F3N2O3 — CID 42591861

IUPAC(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCN2C[C@H](C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)cc1
InChIInChI=1S/C24H27F3N2O3/c1-32-20-9-6-17(7-10-20)13-15-29-16-19(8-11-22(29)30)23(31)28-14-12-18-4-2-3-5-21(18)24(25,26)27/h2-7,9-10,19H,8,11-16H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyPYUKJNYKXDNVIC-LJQANCHMSA-N
MW448.49 g/mol
LogP3.85
Rot. Bonds8

About (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 42591861) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID42591861
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(CCN2C[C@H](C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)cc1
InChIInChI=1S/C24H27F3N2O3/c1-32-20-9-6-17(7-10-20)13-15-29-16-19(8-11-22(29)30)23(31)28-14-12-18-4-2-3-5-21(18)24(25,26)27/h2-7,9-10,19H,8,11-16H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyPYUKJNYKXDNVIC-LJQANCHMSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 24791595
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
(3R)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25385779
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
(3R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42241137
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24790291
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 25280204
N-(1H-imidazol-2-ylmethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72921861
(3R)-1-[(4-chlorophenyl)methyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 25385822

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 42591861) is (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is COc1ccc(CCN2C[C@H](C(=O)NCCc3ccccc3C(F)(F)F)CCC2=O)cc1.
What is the InChIKey of (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is PYUKJNYKXDNVIC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-32-20-9-6-17(7-10-20)13-15-29-16-19(8-11-22(29)30)23(31)28-14-12-18-4-2-3-5-21(18)24(25,26)27/h2-7,9-10,19H,8,11-16H2,1H3,(H,28,31)/t19-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 42591861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).