3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide

C14H20FN3O — CID 63642494

IUPAC3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1F)C1CCCNC1
InChIInChI=1S/C14H20FN3O/c1-18(12-3-2-6-17-8-12)9-11-5-4-10(14(16)19)7-13(11)15/h4-5,7,12,17H,2-3,6,8-9H2,1H3,(H2,16,19)
InChIKeyFDUIWPUXUGMFPW-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.11
Rot. Bonds4

About 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide

3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide (PubChem CID 63642494) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
PubChem CID63642494
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1F)C1CCCNC1
InChIInChI=1S/C14H20FN3O/c1-18(12-3-2-6-17-8-12)9-11-5-4-10(14(16)19)7-13(11)15/h4-5,7,12,17H,2-3,6,8-9H2,1H3,(H2,16,19)
InChIKeyFDUIWPUXUGMFPW-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
CID 61232434
3-fluoro-4-(piperidin-3-yloxymethyl)benzamide
CID 62328013
4-[azepan-4-yl(methyl)amino]-3-fluorobenzamide
CID 107174129
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,N-dimethylpyrrolidin-3-amine;4-fluoro-3-formylbenzamide
CID 158043108
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
3-fluoro-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]benzoic acid
CID 63073186
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide (CID 63642494) is 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1F)C1CCCNC1.
What is the InChIKey of 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide?
The InChIKey is FDUIWPUXUGMFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(12-3-2-6-17-8-12)9-11-5-4-10(14(16)19)7-13(11)15/h4-5,7,12,17H,2-3,6,8-9H2,1H3,(H2,16,19).
What are the key properties of 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide?
3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide has a molecular weight of 265.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[methyl(piperidin-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 63642494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).