4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C16H21F3N2O2 — CID 120617133

IUPAC4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C16H21F3N2O2/c1-23-11-15(5-7-20-8-6-15)14(22)21-10-12-3-2-4-13(9-12)16(17,18)19/h2-4,9,20H,5-8,10-11H2,1H3,(H,21,22)
InChIKeyHVZBAJPTZUXEMY-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.34
Rot. Bonds5

About 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 120617133) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID120617133
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCNCC1
InChIInChI=1S/C16H21F3N2O2/c1-23-11-15(5-7-20-8-6-15)14(22)21-10-12-3-2-4-13(9-12)16(17,18)19/h2-4,9,20H,5-8,10-11H2,1H3,(H,21,22)
InChIKeyHVZBAJPTZUXEMY-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 120645298
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634720
N-[3-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120645145
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 120617133) is 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is COCC1(C(=O)NCc2cccc(C(F)(F)F)c2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is HVZBAJPTZUXEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-23-11-15(5-7-20-8-6-15)14(22)21-10-12-3-2-4-13(9-12)16(17,18)19/h2-4,9,20H,5-8,10-11H2,1H3,(H,21,22).
What are the key properties of 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120617133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).