1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one

C20H25N3O2 — CID 122260810

IUPAC1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
SMILESCc1nccc(OC2CCCN(C(=O)CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H25N3O2/c1-16-21-13-12-19(22-16)25-18-10-6-14-23(15-18)20(24)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,12-13,18H,5-6,9-11,14-15H2,1H3
InChIKeyLPHNRPLASBMYBE-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds6

About 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one

1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one (PubChem CID 122260810) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
PubChem CID122260810
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
SMILESCc1nccc(OC2CCCN(C(=O)CCCc3ccccc3)C2)n1
InChIInChI=1S/C20H25N3O2/c1-16-21-13-12-19(22-16)25-18-10-6-14-23(15-18)20(24)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,12-13,18H,5-6,9-11,14-15H2,1H3
InChIKeyLPHNRPLASBMYBE-UHFFFAOYSA-N
XLogP3.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 126852340
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122243623
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 126850699
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
3-phenyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267498
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one (CID 122260810) is 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one is Cc1nccc(OC2CCCN(C(=O)CCCc3ccccc3)C2)n1.
What is the InChIKey of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one?
The InChIKey is LPHNRPLASBMYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-21-13-12-19(22-16)25-18-10-6-14-23(15-18)20(24)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,12-13,18H,5-6,9-11,14-15H2,1H3.
What are the key properties of 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one?
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 122260810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).