4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide

C16H21F3N2O3 — CID 119744427

IUPAC4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2OCC(F)(F)F)CCNCC1
InChIInChI=1S/C16H21F3N2O3/c1-23-15(6-8-20-9-7-15)14(22)21-10-12-4-2-3-5-13(12)24-11-16(17,18)19/h2-5,20H,6-11H2,1H3,(H,21,22)
InChIKeyWKOAEXKYPANRGH-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.01
Rot. Bonds6

About 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide

4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119744427) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119744427
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccccc2OCC(F)(F)F)CCNCC1
InChIInChI=1S/C16H21F3N2O3/c1-23-15(6-8-20-9-7-15)14(22)21-10-12-4-2-3-5-13(12)24-11-16(17,18)19/h2-5,20H,6-11H2,1H3,(H,21,22)
InChIKeyWKOAEXKYPANRGH-UHFFFAOYSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119755232
1-[(1-hydroxycyclopentyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 111104097
4-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 119769282
4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
4-methoxy-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853784
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 119744427) is 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccccc2OCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is WKOAEXKYPANRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-23-15(6-8-20-9-7-15)14(22)21-10-12-4-2-3-5-13(12)24-11-16(17,18)19/h2-5,20H,6-11H2,1H3,(H,21,22).
What are the key properties of 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide?
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119744427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).