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

C20H22FN3O — CID 95093689

IUPACcyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C20H22FN3O/c21-17-8-6-14(7-9-17)19-22-11-10-18(23-19)16-5-2-12-24(13-16)20(25)15-3-1-4-15/h6-11,15-16H,1-5,12-13H2/t16-/m1/s1
InChIKeyUFPZSWHXBWIUDN-MRXNPFEDSA-N
MW339.41 g/mol
LogP3.79
Rot. Bonds3

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

cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 95093689) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID95093689
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Namecyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C20H22FN3O/c21-17-8-6-14(7-9-17)19-22-11-10-18(23-19)16-5-2-12-24(13-16)20(25)15-3-1-4-15/h6-11,15-16H,1-5,12-13H2/t16-/m1/s1
InChIKeyUFPZSWHXBWIUDN-MRXNPFEDSA-N
XLogP3.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
cyclohexyl-[3-[2-(4-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53140033
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
2-(4-fluorophenoxy)-1-[(3S)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95093540
2-(4-fluorophenoxy)-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 53137582
[(3S)-3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806587

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 95093689) is cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC[C@@H](c2ccnc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is UFPZSWHXBWIUDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-17-8-6-14(7-9-17)19-22-11-10-18(23-19)16-5-2-12-24(13-16)20(25)15-3-1-4-15/h6-11,15-16H,1-5,12-13H2/t16-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 339.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95093689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).