N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide

C15H20F2N2O3 — CID 110877849

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O3/c16-15(17)22-13-5-3-12(4-6-13)18-14(21)9-19-7-1-2-11(8-19)10-20/h3-6,11,15,20H,1-2,7-10H2,(H,18,21)
InChIKeyNSBAOWUFJJOHFW-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.93
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 110877849) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID110877849
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(CO)C1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H20F2N2O3/c16-15(17)22-13-5-3-12(4-6-13)18-14(21)9-19-7-1-2-11(8-19)10-20/h3-6,11,15,20H,1-2,7-10H2,(H,18,21)
InChIKeyNSBAOWUFJJOHFW-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109006515
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 102977410
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9131152
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide (CID 110877849) is N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(CO)C1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is NSBAOWUFJJOHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c16-15(17)22-13-5-3-12(4-6-13)18-14(21)9-19-7-1-2-11(8-19)10-20/h3-6,11,15,20H,1-2,7-10H2,(H,18,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 314.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110877849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).