1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone

C22H23N3O3 — CID 121162475

IUPAC1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCc1nccc(OC2CCN(C(=O)COc3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C22H23N3O3/c1-16-23-11-8-21(24-16)28-19-9-12-25(13-10-19)22(26)15-27-20-7-6-17-4-2-3-5-18(17)14-20/h2-8,11,14,19H,9-10,12-13,15H2,1H3
InChIKeyGHYIHPIXKVQWMN-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone

1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 121162475) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID121162475
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESCc1nccc(OC2CCN(C(=O)COc3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C22H23N3O3/c1-16-23-11-8-21(24-16)28-19-9-12-25(13-10-19)22(26)15-27-20-7-6-17-4-2-3-5-18(17)14-20/h2-8,11,14,19H,9-10,12-13,15H2,1H3
InChIKeyGHYIHPIXKVQWMN-UHFFFAOYSA-N
XLogP3.39
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone with MolForge

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Related Compounds

2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
2-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121162619
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
(3-methylphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162413
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3,3-diphenylpropan-1-one
CID 126850699
1-[3-(2-methylpyrimidin-4-yl)oxypyrrolidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 126852340
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone (CID 121162475) is 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone is Cc1nccc(OC2CCN(C(=O)COc3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is GHYIHPIXKVQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-23-11-8-21(24-16)28-19-9-12-25(13-10-19)22(26)15-27-20-7-6-17-4-2-3-5-18(17)14-20/h2-8,11,14,19H,9-10,12-13,15H2,1H3.
What are the key properties of 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 377.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 121162475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).