2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C18H21N3O3 — CID 122161052

IUPAC2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESCc1ccccc1OCC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C18H21N3O3/c1-14-5-2-3-7-16(14)23-12-18(22)21-10-4-6-15(11-21)24-17-8-9-19-13-20-17/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3
InChIKeyWRWPEXCSDZHGNO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122161052) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122161052
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESCc1ccccc1OCC(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C18H21N3O3/c1-14-5-2-3-7-16(14)23-12-18(22)21-10-4-6-15(11-21)24-17-8-9-19-13-20-17/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3
InChIKeyWRWPEXCSDZHGNO-UHFFFAOYSA-N
XLogP2.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
2-(2-methylphenoxy)-1-(3-pyridin-2-yloxyazetidin-1-yl)ethanone
CID 122247163
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 122161052) is 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is Cc1ccccc1OCC(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is WRWPEXCSDZHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-5-2-3-7-16(14)23-12-18(22)21-10-4-6-15(11-21)24-17-8-9-19-13-20-17/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 327.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122161052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).