N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

C15H23FN4O — CID 62547972

IUPACN-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCN1CCCC(N(C)CC(=O)Nc2ccc(F)cc2N)C1
InChIInChI=1S/C15H23FN4O/c1-19-7-3-4-12(9-19)20(2)10-15(21)18-14-6-5-11(16)8-13(14)17/h5-6,8,12H,3-4,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyGPLVDDWSNVXNHA-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.37
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide

N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (PubChem CID 62547972) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
PubChem CID62547972
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
SMILESCN1CCCC(N(C)CC(=O)Nc2ccc(F)cc2N)C1
InChIInChI=1S/C15H23FN4O/c1-19-7-3-4-12(9-19)20(2)10-15(21)18-14-6-5-11(16)8-13(14)17/h5-6,8,12H,3-4,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyGPLVDDWSNVXNHA-UHFFFAOYSA-N
XLogP1.37
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547439
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61444129
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
N-(3-amino-4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547619
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
N-(2-amino-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 62885358
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-[3-(aminomethyl)phenyl]-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545512
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82732986
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide (CID 62547972) is N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is CN1CCCC(N(C)CC(=O)Nc2ccc(F)cc2N)C1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
The InChIKey is GPLVDDWSNVXNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19-7-3-4-12(9-19)20(2)10-15(21)18-14-6-5-11(16)8-13(14)17/h5-6,8,12H,3-4,7,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide has a molecular weight of 294.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide is sourced from PubChem (CID 62547972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).