2-(4-aminopiperidin-1-yl)-5-fluorobenzamide

C12H16FN3O — CID 55232289

IUPAC2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N1CCC(N)CC1
InChIInChI=1S/C12H16FN3O/c13-8-1-2-11(10(7-8)12(15)17)16-5-3-9(14)4-6-16/h1-2,7,9H,3-6,14H2,(H2,15,17)
InChIKeyNMWZGLUZSQMHJX-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.85
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide

2-(4-aminopiperidin-1-yl)-5-fluorobenzamide (PubChem CID 55232289) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
PubChem CID55232289
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1N1CCC(N)CC1
InChIInChI=1S/C12H16FN3O/c13-8-1-2-11(10(7-8)12(15)17)16-5-3-9(14)4-6-16/h1-2,7,9H,3-6,14H2,(H2,15,17)
InChIKeyNMWZGLUZSQMHJX-UHFFFAOYSA-N
XLogP0.85
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-carbamoyl-4-fluorophenyl)piperidin-4-yl]oxyacetic acid
CID 63902966
5-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63673694
5-fluoro-2-(4-methylpiperidin-1-yl)benzoic acid
CID 43312941
1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanone
CID 43216546
4-(4-aminopiperidin-1-yl)-2,3-difluorobenzoic acid
CID 79841068
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 63978435
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978
2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
CID 55009771
1-(4-fluoro-2-formylphenyl)piperidine-4-carboxamide
CID 43312913
5-fluoro-2-[4-(11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carbonyl)piperazin-1-yl]benzamide
CID 166296242
2-(azocan-1-yl)-5-fluorobenzenecarbothioamide
CID 63675049
5-fluoro-2-[4-[(1S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]piperazin-1-yl]benzamide
CID 167938020

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide (CID 55232289) is 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide is NC(=O)c1cc(F)ccc1N1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide?
The InChIKey is NMWZGLUZSQMHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-8-1-2-11(10(7-8)12(15)17)16-5-3-9(14)4-6-16/h1-2,7,9H,3-6,14H2,(H2,15,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide?
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide has a molecular weight of 237.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-fluorobenzamide is sourced from PubChem (CID 55232289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).