1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C19H23N3O2 — CID 53137653

IUPAC1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2ccnc(-c3ccc(OC)cc3)n2)C1
InChIInChI=1S/C19H23N3O2/c1-3-18(23)22-12-4-5-15(13-22)17-10-11-20-19(21-17)14-6-8-16(24-2)9-7-14/h6-11,15H,3-5,12-13H2,1-2H3
InChIKeyZNQUDDWPMUXWRE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.27
Rot. Bonds4

About 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 53137653) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID53137653
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2ccnc(-c3ccc(OC)cc3)n2)C1
InChIInChI=1S/C19H23N3O2/c1-3-18(23)22-12-4-5-15(13-22)17-10-11-20-19(21-17)14-6-8-16(24-2)9-7-14/h6-11,15H,3-5,12-13H2,1-2H3
InChIKeyZNQUDDWPMUXWRE-UHFFFAOYSA-N
XLogP3.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-[(3R)-3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093653
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760396
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-methyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093486
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95093752
2-ethyl-1-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95093484
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
2-(dimethylamino)-1-[(3R)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810457
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
2-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837849

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 53137653) is 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2ccnc(-c3ccc(OC)cc3)n2)C1.
What is the InChIKey of 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ZNQUDDWPMUXWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-18(23)22-12-4-5-15(13-22)17-10-11-20-19(21-17)14-6-8-16(24-2)9-7-14/h6-11,15H,3-5,12-13H2,1-2H3.
What are the key properties of 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 325.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53137653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).