4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C17H23F3N2O2 — CID 120620296

IUPAC4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C17H23F3N2O2/c1-12(13-3-5-14(6-4-13)17(18,19)20)22-15(23)16(11-24-2)7-9-21-10-8-16/h3-6,12,21H,7-11H2,1-2H3,(H,22,23)
InChIKeyHUZCXIWILSTLBJ-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.90
Rot. Bonds5

About 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 120620296) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID120620296
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C17H23F3N2O2/c1-12(13-3-5-14(6-4-13)17(18,19)20)22-15(23)16(11-24-2)7-9-21-10-8-16/h3-6,12,21H,7-11H2,1-2H3,(H,22,23)
InChIKeyHUZCXIWILSTLBJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120620295
4-(methoxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120621541
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635632
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
4-(methoxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 120622091
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 120620296) is 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is COCC1(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is HUZCXIWILSTLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-12(13-3-5-14(6-4-13)17(18,19)20)22-15(23)16(11-24-2)7-9-21-10-8-16/h3-6,12,21H,7-11H2,1-2H3,(H,22,23).
What are the key properties of 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120620296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).