N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C24H27F3N2O4 — CID 55966797

IUPACN-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C24H27F3N2O4/c1-28(16-18-8-5-6-12-21(18)33-24(25,26)27)23(31)19-9-7-14-29(17-19)22(30)13-15-32-20-10-3-2-4-11-20/h2-6,8,10-12,19H,7,9,13-17H2,1H3
InChIKeyXHRWIOIGXVBRRI-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.25
Rot. Bonds8

About N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 55966797) has the molecular formula C24H27F3N2O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID55966797
Molecular FormulaC24H27F3N2O4
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC NameN-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C24H27F3N2O4/c1-28(16-18-8-5-6-12-21(18)33-24(25,26)27)23(31)19-9-7-14-29(17-19)22(30)13-15-32-20-10-3-2-4-11-20/h2-6,8,10-12,19H,7,9,13-17H2,1H3
InChIKeyXHRWIOIGXVBRRI-UHFFFAOYSA-N
XLogP4.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 124685973
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
(3R)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 124685958

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 55966797) is N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is XHRWIOIGXVBRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O4/c1-28(16-18-8-5-6-12-21(18)33-24(25,26)27)23(31)19-9-7-14-29(17-19)22(30)13-15-32-20-10-3-2-4-11-20/h2-6,8,10-12,19H,7,9,13-17H2,1H3.
What are the key properties of N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55966797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).