N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide

C23H28F2N2O4 — CID 155991987

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
SMILESCc1ccc(OCC2(O)CCCN(CC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1C
InChIInChI=1S/C23H28F2N2O4/c1-16-4-7-20(12-17(16)2)30-15-23(29)10-3-11-27(14-23)13-21(28)26-18-5-8-19(9-6-18)31-22(24)25/h4-9,12,22,29H,3,10-11,13-15H2,1-2H3,(H,26,28)
InChIKeyZLWIAYIGVKBEQJ-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.75
Rot. Bonds8

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

N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide (PubChem CID 155991987) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
PubChem CID155991987
Molecular FormulaC23H28F2N2O4
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
SMILESCc1ccc(OCC2(O)CCCN(CC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1C
InChIInChI=1S/C23H28F2N2O4/c1-16-4-7-20(12-17(16)2)30-15-23(29)10-3-11-27(14-23)13-21(28)26-18-5-8-19(9-6-18)31-22(24)25/h4-9,12,22,29H,3,10-11,13-15H2,1-2H3,(H,26,28)
InChIKeyZLWIAYIGVKBEQJ-UHFFFAOYSA-N
XLogP3.75
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide 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

2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
CID 155991971
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 155991983
N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide
CID 155991676
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 125006358
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9131152
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide (CID 155991987) is N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide is Cc1ccc(OCC2(O)CCCN(CC(=O)Nc3ccc(OC(F)F)cc3)C2)cc1C.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The InChIKey is ZLWIAYIGVKBEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-16-4-7-20(12-17(16)2)30-15-23(29)10-3-11-27(14-23)13-21(28)26-18-5-8-19(9-6-18)31-22(24)25/h4-9,12,22,29H,3,10-11,13-15H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide has a molecular weight of 434.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 155991987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).