1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone

C18H20FN3O2 — CID 95093752

IUPAC1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H20FN3O2/c1-24-12-17(23)22-9-3-5-14(11-22)16-7-8-20-18(21-16)13-4-2-6-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3/t14-/m1/s1
InChIKeyKDULEQBEJCDBFV-CQSZACIVSA-N
MW329.38 g/mol
LogP2.64
Rot. Bonds4

About 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone

1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 95093752) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID95093752
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H20FN3O2/c1-24-12-17(23)22-9-3-5-14(11-22)16-7-8-20-18(21-16)13-4-2-6-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3/t14-/m1/s1
InChIKeyKDULEQBEJCDBFV-CQSZACIVSA-N
XLogP2.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
(2,6-difluorophenyl)-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093749
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
2-(4-fluorophenoxy)-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 53137582
2-(4-fluorophenoxy)-1-[(3S)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95093540
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
3-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486
1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 53137653
N-(2,5-difluorophenyl)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 50844053
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95809691
1-[(3S)-3-[6-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809769

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone (CID 95093752) is 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@H](c2ccnc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is KDULEQBEJCDBFV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-24-12-17(23)22-9-3-5-14(11-22)16-7-8-20-18(21-16)13-4-2-6-15(19)10-13/h2,4,6-8,10,14H,3,5,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone?
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 329.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95093752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).