N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide

C15H20FN3O2 — CID 103296776

IUPACN-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cc(N)cc(C)c2F)CC1
InChIInChI=1S/C15H20FN3O2/c1-9-7-11(17)8-13(14(9)16)15(21)19-5-3-12(4-6-19)18-10(2)20/h7-8,12H,3-6,17H2,1-2H3,(H,18,20)
InChIKeyGTHMQYRSGJRWAA-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.46
Rot. Bonds2

About N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide

N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 103296776) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
PubChem CID103296776
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cc(N)cc(C)c2F)CC1
InChIInChI=1S/C15H20FN3O2/c1-9-7-11(17)8-13(14(9)16)15(21)19-5-3-12(4-6-19)18-10(2)20/h7-8,12H,3-6,17H2,1-2H3,(H,18,20)
InChIKeyGTHMQYRSGJRWAA-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103296424
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
N-[1-(3-amino-2,5-difluorobenzoyl)piperidin-3-yl]acetamide
CID 107120711
methyl 1-(5-amino-2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 103295910
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103296901
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide (CID 103296776) is N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cc(N)cc(C)c2F)CC1.
What is the InChIKey of N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is GTHMQYRSGJRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-9-7-11(17)8-13(14(9)16)15(21)19-5-3-12(4-6-19)18-10(2)20/h7-8,12H,3-6,17H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide?
N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 293.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 103296776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).