N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide

C17H22F2N2O3 — CID 51096292

IUPACN-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C(C)Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N2O3/c1-11(24-14-3-4-15(18)16(19)9-14)17(23)21-7-5-13(6-8-21)10-20-12(2)22/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,22)
InChIKeySSIYLNZQTPCKDT-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.11
Rot. Bonds5

About N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 51096292) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID51096292
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC NameN-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)C(C)Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C17H22F2N2O3/c1-11(24-14-3-4-15(18)16(19)9-14)17(23)21-7-5-13(6-8-21)10-20-12(2)22/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,22)
InChIKeySSIYLNZQTPCKDT-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]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

(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one
CID 119517559
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-difluorophenoxy)propan-1-one;hydrochloride
CID 119517558
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
2-(3,4-difluorophenoxy)-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 71929445
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3,4-difluorophenoxy)propan-1-one
CID 120818307
2-(3,4-difluorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119544183
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(4-methylsulfanylphenoxy)propan-1-one
CID 119543670
2-(3,5-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647802
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119546769

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide (CID 51096292) is N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)C(C)Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is SSIYLNZQTPCKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-11(24-14-3-4-15(18)16(19)9-14)17(23)21-7-5-13(6-8-21)10-20-12(2)22/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,20,22).
What are the key properties of N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 340.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3,4-difluorophenoxy)propanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 51096292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).