N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide

C18H24F2N2O3 — CID 162844857

IUPACN-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1COC(CN2CCC(F)(F)CC2)C1O
InChIInChI=1S/C18H24F2N2O3/c19-18(20)6-8-22(9-7-18)11-15-17(24)14(12-25-15)21-16(23)10-13-4-2-1-3-5-13/h1-5,14-15,17,24H,6-12H2,(H,21,23)
InChIKeyMLTXFRRXKIMEBT-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.20
Rot. Bonds5

About N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide

N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide (PubChem CID 162844857) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
PubChem CID162844857
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC NameN-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1COC(CN2CCC(F)(F)CC2)C1O
InChIInChI=1S/C18H24F2N2O3/c19-18(20)6-8-22(9-7-18)11-15-17(24)14(12-25-15)21-16(23)10-13-4-2-1-3-5-13/h1-5,14-15,17,24H,6-12H2,(H,21,23)
InChIKeyMLTXFRRXKIMEBT-UHFFFAOYSA-N
XLogP1.20
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]acetamide
CID 125417158
N-[(3S,4R,5S)-5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]morpholine-4-carboxamide
CID 125417214
4-amino-2-[(4,4-difluoropiperidin-1-yl)methyl]oxolan-3-ol
CID 162799271
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 125417244
N-[4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]thiophene-2-carboxamide
CID 162799473
N-[4-hydroxy-5-(morpholin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 162800033
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]cyclopropanecarboxamide
CID 125417642
N-[(3S,4R,5S)-5-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-methoxyacetamide
CID 125417765
N-[(3S,4R,5S)-4-hydroxy-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]oxolan-3-yl]cyclopropanecarboxamide
CID 125417669
N-[4-hydroxy-5-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]oxolan-3-yl]-2-phenoxyacetamide
CID 162799400
1,1-difluorocyclopropane;2-phenylacetic acid
CID 165403189
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125417422

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide?
The IUPAC name of N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide (CID 162844857) is N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1COC(CN2CCC(F)(F)CC2)C1O.
What is the InChIKey of N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide?
The InChIKey is MLTXFRRXKIMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c19-18(20)6-8-22(9-7-18)11-15-17(24)14(12-25-15)21-16(23)10-13-4-2-1-3-5-13/h1-5,14-15,17,24H,6-12H2,(H,21,23).
What are the key properties of N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide?
N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide has a molecular weight of 354.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide is sourced from PubChem (CID 162844857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).