[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

C11H14FN3O — CID 102983529

IUPAC[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C11H14FN3O/c12-8-3-4-10(14-6-8)11(16)15-5-1-2-9(13)7-15/h3-4,6,9H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyZAQGEBNMTDMFNW-SECBINFHSA-N
MW223.25 g/mol
LogP0.78
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone

[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 102983529) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID102983529
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(F)cn2)C1
InChIInChI=1S/C11H14FN3O/c12-8-3-4-10(14-6-8)11(16)15-5-1-2-9(13)7-15/h3-4,6,9H,1-2,5,7,13H2/t9-/m1/s1
InChIKeyZAQGEBNMTDMFNW-SECBINFHSA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloropiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 104643088
1-(5-fluoropyridine-2-carbonyl)piperidine-3-carbonitrile
CID 104638536
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
(3-bromo-4-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 102961974
[4-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 104643097
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 102978428
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 102983529) is [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is N[C@@H]1CCCN(C(=O)c2ccc(F)cn2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is ZAQGEBNMTDMFNW-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-3-4-10(14-6-8)11(16)15-5-1-2-9(13)7-15/h3-4,6,9H,1-2,5,7,13H2/t9-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 223.25 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 102983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).