2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide

C17H24F2N2O3 — CID 109476397

IUPAC2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H24F2N2O3/c1-24-15-5-3-13(4-6-15)17(18,19)16(23)20-9-2-10-21-11-7-14(22)8-12-21/h3-6,14,22H,2,7-12H2,1H3,(H,20,23)
InChIKeySDDOEGZVHNPECJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.75
Rot. Bonds7

About 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide

2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 109476397) has the molecular formula C17H24F2N2O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
PubChem CID109476397
Molecular FormulaC17H24F2N2O3
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H24F2N2O3/c1-24-15-5-3-13(4-6-15)17(18,19)16(23)20-9-2-10-21-11-7-14(22)8-12-21/h3-6,14,22H,2,7-12H2,1H3,(H,20,23)
InChIKeySDDOEGZVHNPECJ-UHFFFAOYSA-N
XLogP1.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methoxybenzamide
CID 111429422
2,2-difluoro-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]-2-phenylacetamide
CID 141092517
2-(4-methoxyphenyl)-2-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 110437822
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111183271
2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
CID 109478693
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
1-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3-[4-[2-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-yl]urea
CID 171407867
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide (CID 109476397) is 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(C(F)(F)C(=O)NCCCN2CCC(O)CC2)cc1.
What is the InChIKey of 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is SDDOEGZVHNPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3/c1-24-15-5-3-13(4-6-15)17(18,19)16(23)20-9-2-10-21-11-7-14(22)8-12-21/h3-6,14,22H,2,7-12H2,1H3,(H,20,23).
What are the key properties of 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide?
2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 342.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 109476397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).