4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C14H19F2N3O — CID 63185576

IUPAC4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C14H19F2N3O/c1-19-4-2-9(3-5-19)8-18-14(20)10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyQYHHLNLTIZQCQS-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.62
Rot. Bonds3

About 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide

4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 63185576) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID63185576
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2cc(F)c(N)c(F)c2)CC1
InChIInChI=1S/C14H19F2N3O/c1-19-4-2-9(3-5-19)8-18-14(20)10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyQYHHLNLTIZQCQS-UHFFFAOYSA-N
XLogP1.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
3-bromo-5-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104852574
5-amino-2-fluoro-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 103296322
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
3-amino-5-methoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81089783
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 63185576) is 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2cc(F)c(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is QYHHLNLTIZQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-19-4-2-9(3-5-19)8-18-14(20)10-6-11(15)13(17)12(16)7-10/h6-7,9H,2-5,8,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 283.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 63185576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).