6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one

C17H18FN3O2 — CID 110115116

IUPAC6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(Cc1cccc(F)c1)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-3-12(9-14)10-16(22)21-8-2-4-13(11-21)15-6-7-19-17(23)20-15/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,19,20,23)
InChIKeyYICCCUPBVDSXCF-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.86
Rot. Bonds3

About 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one

6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 110115116) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID110115116
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(Cc1cccc(F)c1)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H18FN3O2/c18-14-5-1-3-12(9-14)10-16(22)21-8-2-4-13(11-21)15-6-7-19-17(23)20-15/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,19,20,23)
InChIKeyYICCCUPBVDSXCF-UHFFFAOYSA-N
XLogP1.86
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771
2-(3-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103996
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124998243
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
6-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124967205
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
2-(3-fluorophenyl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124979428
4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816093
2-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]acetic acid
CID 62690576
6-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-7H-1,7-naphthyridin-8-one
CID 92572228

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one (CID 110115116) is 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one is O=C(Cc1cccc(F)c1)N1CCCC(c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is YICCCUPBVDSXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-5-1-3-12(9-14)10-16(22)21-8-2-4-13(11-21)15-6-7-19-17(23)20-15/h1,3,5-7,9,13H,2,4,8,10-11H2,(H,19,20,23).
What are the key properties of 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 315.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110115116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).