2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide

C14H18F2N2O2 — CID 169209379

IUPAC2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide
SMILESC[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccccc2)CCN1
InChIInChI=1S/C14H18F2N2O2/c1-10-9-11(7-8-17-10)18-13(19)14(15,16)20-12-5-3-2-4-6-12/h2-6,10-11,17H,7-9H2,1H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyXGXRQHYDIIJLRR-QWRGUYRKSA-N
MW284.31 g/mol
LogP1.91
Rot. Bonds4

About 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide

2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide (PubChem CID 169209379) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide
PubChem CID169209379
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide
SMILESC[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccccc2)CCN1
InChIInChI=1S/C14H18F2N2O2/c1-10-9-11(7-8-17-10)18-13(19)14(15,16)20-12-5-3-2-4-6-12/h2-6,10-11,17H,7-9H2,1H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyXGXRQHYDIIJLRR-QWRGUYRKSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-4-yl)-2-phenoxypropanamide;hydrochloride
CID 120598370
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
N-(2-methylpiperidin-4-yl)-2-phenyl-2-(3-propan-2-ylphenoxy)acetamide
CID 120601037
N-(2-methylpiperidin-4-yl)-2-phenylbutanamide;hydrochloride
CID 120598998
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
2,2-dimethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402310
2,6-difluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 106995199
4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 120602324

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide?
The IUPAC name of 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide (CID 169209379) is 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide?
The canonical SMILES for 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide is C[C@H]1C[C@@H](NC(=O)C(F)(F)Oc2ccccc2)CCN1.
What is the InChIKey of 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide?
The InChIKey is XGXRQHYDIIJLRR-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-10-9-11(7-8-17-10)18-13(19)14(15,16)20-12-5-3-2-4-6-12/h2-6,10-11,17H,7-9H2,1H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide?
2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide has a molecular weight of 284.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2S,4S)-2-methylpiperidin-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 169209379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).