N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide

C16H22F2N2O3 — CID 78787306

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C16H22F2N2O3/c1-19(15(22)11-20-8-2-3-13(21)10-20)9-12-4-6-14(7-5-12)23-16(17)18/h4-7,13,16,21H,2-3,8-11H2,1H3
InChIKeyKCTOZUQNQRHKGE-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.70
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide (PubChem CID 78787306) has the molecular formula C16H22F2N2O3 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
PubChem CID78787306
Molecular FormulaC16H22F2N2O3
Molecular Weight328.36 g/mol
Exact Mass328.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C16H22F2N2O3/c1-19(15(22)11-20-8-2-3-13(21)10-20)9-12-4-6-14(7-5-12)23-16(17)18/h4-7,13,16,21H,2-3,8-11H2,1H3
InChIKeyKCTOZUQNQRHKGE-UHFFFAOYSA-N
XLogP1.70
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 97248546
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylacetamide
CID 51140706
2-cyclohexyloxy-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 87000610
2-(4-benzoylpiperazin-1-yl)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;oxalic acid
CID 42913906
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 86879228
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280
2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 91794996
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 124679861
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 84602635
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide (CID 78787306) is N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CN1CCCC(O)C1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is KCTOZUQNQRHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3/c1-19(15(22)11-20-8-2-3-13(21)10-20)9-12-4-6-14(7-5-12)23-16(17)18/h4-7,13,16,21H,2-3,8-11H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 328.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 78787306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).