6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one

C16H16FN3O2 — CID 125019436

IUPAC6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(c1ccccc1F)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C16H16FN3O2/c17-13-6-2-1-5-12(13)15(21)20-9-3-4-11(10-20)14-7-8-18-16(22)19-14/h1-2,5-8,11H,3-4,9-10H2,(H,18,19,22)/t11-/m1/s1
InChIKeyXVXPKBOECHMINX-LLVKDONJSA-N
MW301.32 g/mol
LogP1.93
Rot. Bonds2

About 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 125019436) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID125019436
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(c1ccccc1F)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C16H16FN3O2/c17-13-6-2-1-5-12(13)15(21)20-9-3-4-11(10-20)14-7-8-18-16(22)19-14/h1-2,5-8,11H,3-4,9-10H2,(H,18,19,22)/t11-/m1/s1
InChIKeyXVXPKBOECHMINX-LLVKDONJSA-N
XLogP1.93
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735563
6-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124967205
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125005483
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 125019436) is 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one is O=C(c1ccccc1F)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is XVXPKBOECHMINX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-6-2-1-5-12(13)15(21)20-9-3-4-11(10-20)14-7-8-18-16(22)19-14/h1-2,5-8,11H,3-4,9-10H2,(H,18,19,22)/t11-/m1/s1.
What are the key properties of 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 301.32 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 125019436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).