1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one

C16H25FN2O — CID 157368123

IUPAC1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCCN(CCF)C2)c1=O
InChIInChI=1S/C16H25FN2O/c1-13(2)11-14-5-3-9-19(16(14)20)15-6-4-8-18(12-15)10-7-17/h3,5,9,13,15H,4,6-8,10-12H2,1-2H3/t15-/m0/s1
InChIKeyQFPJIKAUFPPEKF-HNNXBMFYSA-N
MW280.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one

1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one (PubChem CID 157368123) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
PubChem CID157368123
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCCN(CCF)C2)c1=O
InChIInChI=1S/C16H25FN2O/c1-13(2)11-14-5-3-9-19(16(14)20)15-6-4-8-18(12-15)10-7-17/h3,5,9,13,15H,4,6-8,10-12H2,1-2H3/t15-/m0/s1
InChIKeyQFPJIKAUFPPEKF-HNNXBMFYSA-N
XLogP2.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one (CID 157368123) is 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one is CC(C)Cc1cccn([C@H]2CCCN(CCF)C2)c1=O.
What is the InChIKey of 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
The InChIKey is QFPJIKAUFPPEKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(2)11-14-5-3-9-19(16(14)20)15-6-4-8-18(12-15)10-7-17/h3,5,9,13,15H,4,6-8,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one?
1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one has a molecular weight of 280.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]-3-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 157368123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).