3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide

C14H19F2N3O — CID 114502840

IUPAC3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
SMILESCC1CN(C)CCC1NC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H19F2N3O/c1-8-7-19(2)6-5-11(8)18-14(20)12-9(15)3-4-10(17)13(12)16/h3-4,8,11H,5-7,17H2,1-2H3,(H,18,20)
InChIKeyBCNZVYHSPZGFNM-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.62
Rot. Bonds2

About 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide

3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide (PubChem CID 114502840) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
PubChem CID114502840
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
SMILESCC1CN(C)CCC1NC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C14H19F2N3O/c1-8-7-19(2)6-5-11(8)18-14(20)12-9(15)3-4-10(17)13(12)16/h3-4,8,11H,5-7,17H2,1-2H3,(H,18,20)
InChIKeyBCNZVYHSPZGFNM-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.62
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

2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 114505992
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
CID 79773246
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001
3-amino-N-cyclopentyl-2,6-difluorobenzamide
CID 79768023
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
3-amino-N-(2,2-dimethylcyclopropyl)-2,6-difluorobenzamide
CID 79773809
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
3-amino-2,6-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79772979
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 107873193
3-amino-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 79772868

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide (CID 114502840) is 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide is CC1CN(C)CCC1NC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide?
The InChIKey is BCNZVYHSPZGFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-8-7-19(2)6-5-11(8)18-14(20)12-9(15)3-4-10(17)13(12)16/h3-4,8,11H,5-7,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide?
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide has a molecular weight of 283.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 114502840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).