N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

C17H21FN2O3 — CID 166410798

IUPACN-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCCC(c2cccc(O)c2F)C1
InChIInChI=1S/C17H21FN2O3/c1-3-15(22)19(2)11-16(23)20-9-5-6-12(10-20)13-7-4-8-14(21)17(13)18/h3-4,7-8,12,21H,1,5-6,9-11H2,2H3
InChIKeyVUTPFRLZELWCNH-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.88
Rot. Bonds4

About N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166410798) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166410798
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCCC(c2cccc(O)c2F)C1
InChIInChI=1S/C17H21FN2O3/c1-3-15(22)19(2)11-16(23)20-9-5-6-12(10-20)13-7-4-8-14(21)17(13)18/h3-4,7-8,12,21H,1,5-6,9-11H2,2H3
InChIKeyVUTPFRLZELWCNH-UHFFFAOYSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 154793906
1-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-(oxan-3-yloxy)ethanone
CID 166284035
1-[3-(2-fluoro-3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)pent-4-en-1-one
CID 176577239
methyl 2-fluoro-3-[(3S)-1-propanoylpiperidin-3-yl]benzoate
CID 176578685
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylprop-2-enamide
CID 166406509
3-[3-(2-fluoro-3-hydroxyphenyl)piperidine-1-carbonyl]-2-methylisoquinolin-1-one
CID 166284030
1-[2-[3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylurea
CID 119064064
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
N-(2,6-difluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113157617
3-[1-(bicyclo[1.1.0]butane-1-carbonyl)piperidin-3-yl]-2-fluorobenzoic acid
CID 176577112
N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
CID 166406523
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564207

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (CID 166410798) is N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCCC(c2cccc(O)c2F)C1.
What is the InChIKey of N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is VUTPFRLZELWCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-3-15(22)19(2)11-16(23)20-9-5-6-12(10-20)13-7-4-8-14(21)17(13)18/h3-4,7-8,12,21H,1,5-6,9-11H2,2H3.
What are the key properties of N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 320.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-fluoro-3-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166410798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).