N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C24H27F3N2O4 — CID 55967324

IUPACN-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C24H27F3N2O4/c1-28(16-18-9-11-21(12-10-18)33-24(25,26)27)23(31)19-6-5-14-29(17-19)22(30)13-15-32-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-17H2,1H3
InChIKeyXHOCEQGRHOUJSD-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.25
Rot. Bonds8

About N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 55967324) has the molecular formula C24H27F3N2O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID55967324
Molecular FormulaC24H27F3N2O4
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC NameN-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C24H27F3N2O4/c1-28(16-18-9-11-21(12-10-18)33-24(25,26)27)23(31)19-6-5-14-29(17-19)22(30)13-15-32-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-17H2,1H3
InChIKeyXHOCEQGRHOUJSD-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

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Related Compounds

N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55966797
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967191
N-[(4-methoxyphenyl)methyl]-1-(3-phenoxypropanoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 55982263
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
(3R)-N,N-dimethyl-1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 52539875
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672619
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993592

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 55967324) is N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is XHOCEQGRHOUJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O4/c1-28(16-18-9-11-21(12-10-18)33-24(25,26)27)23(31)19-6-5-14-29(17-19)22(30)13-15-32-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-17H2,1H3.
What are the key properties of N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(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-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55967324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).