3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide

C20H27F3N2O2 — CID 142324853

IUPAC3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide
SMILESCOc1cccc(C(C(=O)NC2(CCC3CCNCC3)CC2)C(F)(F)F)c1
InChIInChI=1S/C20H27F3N2O2/c1-27-16-4-2-3-15(13-16)17(20(21,22)23)18(26)25-19(9-10-19)8-5-14-6-11-24-12-7-14/h2-4,13-14,17,24H,5-12H2,1H3,(H,25,26)
InChIKeyOGLNVAYGZANMMF-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.77
Rot. Bonds7

About 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide

3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide (PubChem CID 142324853) has the molecular formula C20H27F3N2O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide
PubChem CID142324853
Molecular FormulaC20H27F3N2O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide
SMILESCOc1cccc(C(C(=O)NC2(CCC3CCNCC3)CC2)C(F)(F)F)c1
InChIInChI=1S/C20H27F3N2O2/c1-27-16-4-2-3-15(13-16)17(20(21,22)23)18(26)25-19(9-10-19)8-5-14-6-11-24-12-7-14/h2-4,13-14,17,24H,5-12H2,1H3,(H,25,26)
InChIKeyOGLNVAYGZANMMF-UHFFFAOYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide with MolForge

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Related Compounds

N-[2-(7-azaspiro[3.5]nonan-2-yl)ethyl]-3,3,3-trifluoro-2-(3-methoxyphenyl)-N-methylpropanamide;ethane
CID 142324905
3-(3-methoxyphenyl)-3-[[2-[[4-piperidin-4-yl-2-(2-piperidin-4-ylethyl)butanoyl]amino]acetyl]amino]propanoic acid
CID 18330229
(2R)-3,3,3-trifluoro-2-hydroxy-2-(3-methoxyphenyl)-N-(4-piperidin-4-ylbutan-2-yl)propanamide
CID 142321476
4-[2-(3-methoxyphenoxy)ethyl]piperidine
CID 26192450
2-(3-methoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119450388
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
N-[1-(3-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876727
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
methyl 3-cyclopropyl-2-fluoro-3-(3-methoxyphenyl)-2-methylpropanoate
CID 134466095

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide (CID 142324853) is 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide is COc1cccc(C(C(=O)NC2(CCC3CCNCC3)CC2)C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide?
The InChIKey is OGLNVAYGZANMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O2/c1-27-16-4-2-3-15(13-16)17(20(21,22)23)18(26)25-19(9-10-19)8-5-14-6-11-24-12-7-14/h2-4,13-14,17,24H,5-12H2,1H3,(H,25,26).
What are the key properties of 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide?
3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(3-methoxyphenyl)-N-[1-(2-piperidin-4-ylethyl)cyclopropyl]propanamide is sourced from PubChem (CID 142324853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).