2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide

C16H22F2N2O2 — CID 120888865

IUPAC2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
SMILESCOCC1(CNC(=O)C(F)(F)c2ccccc2)CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-22-12-15(7-9-19-10-8-15)11-20-14(21)16(17,18)13-5-3-2-4-6-13/h2-6,19H,7-12H2,1H3,(H,20,21)
InChIKeyMEFPREJXYHNJSD-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.91
Rot. Bonds6

About 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide

2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide (PubChem CID 120888865) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
PubChem CID120888865
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
SMILESCOCC1(CNC(=O)C(F)(F)c2ccccc2)CCNCC1
InChIInChI=1S/C16H22F2N2O2/c1-22-12-15(7-9-19-10-8-15)11-20-14(21)16(17,18)13-5-3-2-4-6-13/h2-6,19H,7-12H2,1H3,(H,20,21)
InChIKeyMEFPREJXYHNJSD-UHFFFAOYSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
2-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpropanamide
CID 120891055
2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120890396
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenacylsulfanylacetamide;hydrochloride
CID 120892025
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 120890713

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide?
The IUPAC name of 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide (CID 120888865) is 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide?
The canonical SMILES for 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide is COCC1(CNC(=O)C(F)(F)c2ccccc2)CCNCC1.
What is the InChIKey of 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide?
The InChIKey is MEFPREJXYHNJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-22-12-15(7-9-19-10-8-15)11-20-14(21)16(17,18)13-5-3-2-4-6-13/h2-6,19H,7-12H2,1H3,(H,20,21).
What are the key properties of 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide?
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide has a molecular weight of 312.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 120888865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).