N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide

C15H22FN3O2 — CID 107227198

IUPACN-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESNc1cc(NC(=O)CN2CCCC(CCO)C2)ccc1F
InChIInChI=1S/C15H22FN3O2/c16-13-4-3-12(8-14(13)17)18-15(21)10-19-6-1-2-11(9-19)5-7-20/h3-4,8,11,20H,1-2,5-7,9-10,17H2,(H,18,21)
InChIKeyBPTGXYNZSFHSFY-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.44
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide

N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide (PubChem CID 107227198) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
PubChem CID107227198
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
SMILESNc1cc(NC(=O)CN2CCCC(CCO)C2)ccc1F
InChIInChI=1S/C15H22FN3O2/c16-13-4-3-12(8-14(13)17)18-15(21)10-19-6-1-2-11(9-19)5-7-20/h3-4,8,11,20H,1-2,5-7,9-10,17H2,(H,18,21)
InChIKeyBPTGXYNZSFHSFY-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
N-(2-aminophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227195
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(4-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227238
N-(3-amino-4-fluorophenyl)-2-(1,4-thiazepan-4-yl)acetamide
CID 61418614
N-(3,4-difluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914369
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 120728107

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide (CID 107227198) is N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide is Nc1cc(NC(=O)CN2CCCC(CCO)C2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
The InChIKey is BPTGXYNZSFHSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c16-13-4-3-12(8-14(13)17)18-15(21)10-19-6-1-2-11(9-19)5-7-20/h3-4,8,11,20H,1-2,5-7,9-10,17H2,(H,18,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide?
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 107227198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).