1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one

C16H20FN3O — CID 141211537

IUPAC1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
SMILESN[C@@H]1CCN(CCn2c(=O)ccc3ccccc32)C[C@@H]1F
InChIInChI=1S/C16H20FN3O/c17-13-11-19(8-7-14(13)18)9-10-20-15-4-2-1-3-12(15)5-6-16(20)21/h1-6,13-14H,7-11,18H2/t13-,14+/m0/s1
InChIKeyJXPMQWJBCLGQBQ-UONOGXRCSA-N
MW289.35 g/mol
LogP1.37
Rot. Bonds3

About 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one

1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one (PubChem CID 141211537) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
PubChem CID141211537
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
SMILESN[C@@H]1CCN(CCn2c(=O)ccc3ccccc32)C[C@@H]1F
InChIInChI=1S/C16H20FN3O/c17-13-11-19(8-7-14(13)18)9-10-20-15-4-2-1-3-12(15)5-6-16(20)21/h1-6,13-14H,7-11,18H2/t13-,14+/m0/s1
InChIKeyJXPMQWJBCLGQBQ-UONOGXRCSA-N
XLogP1.37
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Acrylfentanyl hydrochloride
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Ortho-fluoro acrylfentanyl
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Iferanserin
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one (CID 141211537) is 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one is N[C@@H]1CCN(CCn2c(=O)ccc3ccccc32)C[C@@H]1F.
What is the InChIKey of 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one?
The InChIKey is JXPMQWJBCLGQBQ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-13-11-19(8-7-14(13)18)9-10-20-15-4-2-1-3-12(15)5-6-16(20)21/h1-6,13-14H,7-11,18H2/t13-,14+/m0/s1.
What are the key properties of 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one?
1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one has a molecular weight of 289.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 141211537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).