1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

C19H23N3O3 — CID 135104601

IUPAC1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCOc1ccccc1OC1CCN(c2ncc(C(C)=O)c(C)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-16(14(2)23)12-20-19(21-13)22-10-8-15(9-11-22)25-18-7-5-4-6-17(18)24-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQHLZRNPJAUZVOD-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 135104601) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
PubChem CID135104601
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCOc1ccccc1OC1CCN(c2ncc(C(C)=O)c(C)n2)CC1
InChIInChI=1S/C19H23N3O3/c1-13-16(14(2)23)12-20-19(21-13)22-10-8-15(9-11-22)25-18-7-5-4-6-17(18)24-3/h4-7,12,15H,8-11H2,1-3H3
InChIKeyQHLZRNPJAUZVOD-UHFFFAOYSA-N
XLogP3.04
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methyl-2-(4-pyridin-4-yloxypiperidin-1-yl)pyrimidin-5-yl]ethanone
CID 137337439
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-5,6-dimethylpyrimidine
CID 70708834
1-[2-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 135119885
3-methoxy-2-[4-(2-methoxyphenoxy)piperidin-1-yl]-6-methylpyridine
CID 146038169
3-[1-(5-acetyl-4-methylpyrimidin-2-yl)piperidin-4-yl]propanoic acid
CID 137335528
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
1-[2-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-4-methylpyrimidin-5-yl]ethanone
CID 163307960
1-[4-methyl-2-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 72863951
1-[4-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidin-5-yl]ethanone
CID 137341546
(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 126446397
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
N-[2-(2-methoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505284

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (CID 135104601) is 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is COc1ccccc1OC1CCN(c2ncc(C(C)=O)c(C)n2)CC1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is QHLZRNPJAUZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-16(14(2)23)12-20-19(21-13)22-10-8-15(9-11-22)25-18-7-5-4-6-17(18)24-3/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 135104601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).