3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide

C15H22FN3O — CID 43574421

IUPAC3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-19-8-6-12(7-9-19)18(2)15(20)11-4-5-13(16)14(17)10-11/h4-5,10,12H,3,6-9,17H2,1-2H3
InChIKeyGLXJXGPWDMIIOT-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.96
Rot. Bonds3

About 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide

3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide (PubChem CID 43574421) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
PubChem CID43574421
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
SMILESCCN1CCC(N(C)C(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-3-19-8-6-12(7-9-19)18(2)15(20)11-4-5-13(16)14(17)10-11/h4-5,10,12H,3,6-9,17H2,1-2H3
InChIKeyGLXJXGPWDMIIOT-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
3-amino-4-fluoro-N-methyl-N-(thiolan-3-yl)benzamide
CID 43437025
3-bromo-4-chloro-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 103841606
N-(1-ethylpiperidin-4-yl)-2-fluoro-N-methyl-5-sulfanylbenzamide
CID 107026589
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
ethyl 4-[(3,4-difluorobenzoyl)-methylamino]piperidine-1-carboxylate
CID 110868280
4-(4-ethylpiperazin-1-yl)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide;dihydrochloride
CID 119442759
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 61115533
N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786
4-amino-N-(1-ethylpiperidin-4-yl)-N,5-dimethylthiophene-2-carboxamide
CID 61092921
6-chloro-N-(1-ethylpiperidin-4-yl)-N-methylpyridine-3-carboxamide
CID 60724487
2-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385564

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide (CID 43574421) is 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide is CCN1CCC(N(C)C(=O)c2ccc(F)c(N)c2)CC1.
What is the InChIKey of 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide?
The InChIKey is GLXJXGPWDMIIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-19-8-6-12(7-9-19)18(2)15(20)11-4-5-13(16)14(17)10-11/h4-5,10,12H,3,6-9,17H2,1-2H3.
What are the key properties of 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide?
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 43574421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).