4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide

C13H18FN3O — CID 102985021

IUPAC4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H](N)C2)c(F)c1
InChIInChI=1S/C13H18FN3O/c14-12-6-9(13(16)18)3-4-10(12)7-17-5-1-2-11(15)8-17/h3-4,6,11H,1-2,5,7-8,15H2,(H2,16,18)/t11-/m1/s1
InChIKeyZKANTXNFBUAWFB-LLVKDONJSA-N
MW251.30 g/mol
LogP0.85
Rot. Bonds3

About 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide

4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide (PubChem CID 102985021) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
PubChem CID102985021
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CN2CCC[C@@H](N)C2)c(F)c1
InChIInChI=1S/C13H18FN3O/c14-12-6-9(13(16)18)3-4-10(12)7-17-5-1-2-11(15)8-17/h3-4,6,11H,1-2,5,7-8,15H2,(H2,16,18)/t11-/m1/s1
InChIKeyZKANTXNFBUAWFB-LLVKDONJSA-N
XLogP0.85
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
CID 114681500
4-[(3-aminopiperidin-1-yl)methyl]benzamide
CID 61295537
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008
3-fluoro-4-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 65449051
1-[(2-fluoro-4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910203
1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 43440688
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
CID 61233906
3-fluoro-4-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzamide
CID 66261343
4-[[(3S)-3-aminopiperidin-1-yl]methyl]-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-fluorobenzamide
CID 130177502
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
(3R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-amine
CID 24904864

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide?
The IUPAC name of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide (CID 102985021) is 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide is NC(=O)c1ccc(CN2CCC[C@@H](N)C2)c(F)c1.
What is the InChIKey of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide?
The InChIKey is ZKANTXNFBUAWFB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-12-6-9(13(16)18)3-4-10(12)7-17-5-1-2-11(15)8-17/h3-4,6,11H,1-2,5,7-8,15H2,(H2,16,18)/t11-/m1/s1.
What are the key properties of 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide?
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide has a molecular weight of 251.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide is sourced from PubChem (CID 102985021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).