N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide

C15H22FN3O2 — CID 102735902

IUPACN-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(N2CCC(CNC(C)=O)CC2)c(N)cc1F
InChIInChI=1S/C15H22FN3O2/c1-10(20)18-9-11-3-5-19(6-4-11)14-8-15(21-2)12(16)7-13(14)17/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKeyAGEBYYLPOVFHQH-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.77
Rot. Bonds4

About N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102735902) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
PubChem CID102735902
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
SMILESCOc1cc(N2CCC(CNC(C)=O)CC2)c(N)cc1F
InChIInChI=1S/C15H22FN3O2/c1-10(20)18-9-11-3-5-19(6-4-11)14-8-15(21-2)12(16)7-13(14)17/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKeyAGEBYYLPOVFHQH-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)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

N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
CID 102735929
1-(2-amino-4-fluoro-5-methoxyphenyl)piperidine-4-carboxamide
CID 55215681
1-[4-(2-amino-4-fluoro-5-methoxyphenyl)piperazin-1-yl]ethanone
CID 55215680
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 107259017
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107933077
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
5-fluoro-4-methoxy-2-piperazin-1-ylaniline
CID 63597500
1-(2-amino-4-fluoro-5-methoxyphenyl)-4-methylpiperidin-4-ol
CID 81097828

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide (CID 102735902) is N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide is COc1cc(N2CCC(CNC(C)=O)CC2)c(N)cc1F.
What is the InChIKey of N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is AGEBYYLPOVFHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(20)18-9-11-3-5-19(6-4-11)14-8-15(21-2)12(16)7-13(14)17/h7-8,11H,3-6,9,17H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).