3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide

C15H22FN3O — CID 107162855

IUPAC3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
SMILESCN1CCC(C)(CNC(=O)c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-15(3-5-19(2)6-4-15)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10,17H2,1-2H3,(H,18,20)
InChIKeyQITNVPCRFAVESN-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide

3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide (PubChem CID 107162855) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
PubChem CID107162855
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
SMILESCN1CCC(C)(CNC(=O)c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-15(3-5-19(2)6-4-15)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10,17H2,1-2H3,(H,18,20)
InChIKeyQITNVPCRFAVESN-UHFFFAOYSA-N
XLogP1.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
The IUPAC name of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide (CID 107162855) is 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
The canonical SMILES for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide is CN1CCC(C)(CNC(=O)c2cc(N)cc(F)c2)CC1.
What is the InChIKey of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
The InChIKey is QITNVPCRFAVESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(3-5-19(2)6-4-15)10-18-14(20)11-7-12(16)9-13(17)8-11/h7-9H,3-6,10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide is sourced from PubChem (CID 107162855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).