2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

C24H29F3N2O2 — CID 42927404

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CCC2CCN(C(C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H29F3N2O2/c1-17(23(30)28-22-6-4-3-5-21(22)24(25,26)27)29-15-13-19(14-16-29)8-7-18-9-11-20(31-2)12-10-18/h3-6,9-12,17,19H,7-8,13-16H2,1-2H3,(H,28,30)
InChIKeyFOMWAYZJPFJMOI-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.39
Rot. Bonds7

About 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide

2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 42927404) has the molecular formula C24H29F3N2O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID42927404
Molecular FormulaC24H29F3N2O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccc(CCC2CCN(C(C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H29F3N2O2/c1-17(23(30)28-22-6-4-3-5-21(22)24(25,26)27)29-15-13-19(14-16-29)8-7-18-9-11-20(31-2)12-10-18/h3-6,9-12,17,19H,7-8,13-16H2,1-2H3,(H,28,30)
InChIKeyFOMWAYZJPFJMOI-UHFFFAOYSA-N
XLogP5.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 154755930
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
N-(2,6-difluorophenyl)-2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]propanamide
CID 18137185
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 55420710
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 42927404) is 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is COc1ccc(CCC2CCN(C(C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FOMWAYZJPFJMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O2/c1-17(23(30)28-22-6-4-3-5-21(22)24(25,26)27)29-15-13-19(14-16-29)8-7-18-9-11-20(31-2)12-10-18/h3-6,9-12,17,19H,7-8,13-16H2,1-2H3,(H,28,30).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide?
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 434.50 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42927404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).